Sugi Predict

Sugi Predict / Compounds / SCHEMBL2777259

SCHEMBL2777259

SCHEMBL2777259

Cc1cccc(OCCC(=O)O)c1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL31302989 1.00 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
Hydrochloric Acid SCHEMBL2777750 0.98 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL826321 0.92 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL8278944 0.90 KMT2A (0.60) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL8357771 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL10102862 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL20230314 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL13450150 0.89 PPARA (0.59) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL27414037 0.87 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD
SCHEMBL5834552 0.86 SMN1; SMN2 (0.58) L3MBTL1SMN1; SMN2TDP1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 — — US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 — — US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 — — US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 — — US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 — — US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 — — US disclosed
EP-1761528-B1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC (JP) 2008-01-09 — — EP disclosed
CN-101070317-A Heterocyclic derivatives, composition containing same and method for pests control FMC CORP (US) 2007-11-14 — — CN disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 — — US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 — — US disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 — — WO disclosed
CN-1692108-A Heterocyclic pesticides FMC CORP (US) 2005-11-02 — — CN disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 — — EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 — — US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 — — EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 — — WO 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 (5 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-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD L3MBTL1 3947/4885SMN1; SMN2 2395/4885TDP1 2910/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD L3MBTL1 3455/4885SMN1; SMN2 1532/4885TDP1 340/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD L3MBTL1 3455/4885SMN1; SMN2 1532/4885TDP1 340/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE L3MBTL1 228/4885SMN1; SMN2 1039/4885TDP1 848/4885
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD L3MBTL1 3455/4885SMN1; SMN2 1532/4885TDP1 340/4885

“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.