Sugi Predict

Sugi Predict / Compounds / SCHEMBL670257

SCHEMBL670257

SCHEMBL670257

O=C(OC(C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 1.00
▸ TP53 P04637 1/20 1.00
▸ CYP2D6 P10635 2/20 0.65
▸ RECQL P46063 1/20 0.61
▸ LMNA P02545 2/20 0.56
▸ F2 P00734 1/20 0.56
▸ PDCD1 Q15116 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.50
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14117921 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL221678 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL7685 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL11886503 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL223030 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
Ammonia Solution, Strong SCHEMBL11444695 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28150719 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL312080 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL365251 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28149702 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137082-A1 PROCESS FOR INDUSTRIALLY VIABLE PREPARATION OF PERINDOPRIL ERBUMINE POTLURI RAMESH BABU (IN) 2006-12-28 — — WO claimed
WO-2005049568-A1 A PROCESS FOR INDUSTRIALLY VIABLE PREPARATION OF (S,S,S) PHENYLMETHYL-2-AZABICYCLO-[3.3.0]-OCTANE-3-CARBOXYLATE TOSYLATE BABU POTLURI RAMESH (IN) 2005-06-02 — — WO claimed
EP-3272738-B1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE HOLDINGS CORP (US) 2024-11-13 — — EP disclosed
EP-4234546-A2 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND Amgen Inc. (US) 2023-08-30 — — EP disclosed
US-11524957-B2 Process for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-13 — — US disclosed
US-20210101897-A1 PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-08 — — US disclosed
WO-2020102730-A1 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. (US) 2020-05-22 — — WO disclosed
WO-2019194319-A1 PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6- (3-METHYL-1 H-PYRAZOL-4-YL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-10 — — WO disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 — — US disclosed
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2016-09-08 — — US disclosed
US-9408852-B2 Method of lowering serum uric acid levels with (S)-tofisopam PHARMOS CORPORATION (US) 2016-08-09 — — US disclosed
US-20040157833-A1 Pharmaceutical composition of 1- (3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7-methoxy-8-hydroxy-5H-2,3-benzodiazepine and uses thereof VELA PHARMACEUTICALS, INC. 2004-08-12 — — US disclosed
US-20040152695-A1 Pharmaceutical composition of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine and uses thereof VELA PHARMACEUTICALS, INC. 2004-08-05 — — US disclosed
US-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 — — US disclosed
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 — — US disclosed
WO-2004050615-A2 METHOD OF INCREASING NEUTROPHIL PRODUCTION USING 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
WO-2004050040-A2 PHARMACEUTICAL COMPOSITION OF 1-(3,4-DIMETHOXYPHENYL)-4-METHYL-5-ETHYL-7-METHOXY-8-HYDROXY-5H-2,3-BENZODIAZEPINE AND USES THEREOF VELA PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 — — US disclosed
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 — — US disclosed
US-6683072-B1 EFFECTIVE LONG TERM ALLEVIATION VELA PHARMACEUTICALS, INC. 2004-01-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines LTB4R2, LTB4R, GABRA4 TSHR 327/4885TP53 4833/4885CYP2D6 219/4885
US-20040157833-A1 Pharmaceutical composition of 1- (3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7-methoxy-8-hydroxy-5H-2,3-benzodiazepine and uses thereof GABRA4, GABBR1, GABRB2 TSHR 874/4885TP53 4800/4885CYP2D6 492/4885
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 TSHR 529/4885TP53 4854/4885CYP2D6 293/4885
US-11524957-B2 Process for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one CDC7, CDK7, CDCA2 TSHR 3187/4885TP53 342/4885CYP2D6 2869/4885
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 TSHR 3145/4885TP53 1906/4885CYP2D6 1033/4885
US-20040152695-A1 Pharmaceutical composition of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine and uses thereof GABRA4, GABRA2, GABRB2 TSHR 962/4885TP53 4759/4885CYP2D6 338/4885
US-20210101897-A1 PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE CDC7, CDK7, CDCA2 TSHR 3191/4885TP53 344/4885CYP2D6 2861/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 TSHR 416/4885TP53 4729/4885CYP2D6 211/4885
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines GABRR1, GABRA1, GABRA3 TSHR 758/4885TP53 4878/4885CYP2D6 232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.