Sugi Predict

Sugi Predict / Compounds / SCHEMBL4850895

SCHEMBL4850895

SCHEMBL4850895

NC(=S)COC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50

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
Benzoic Acid Carbamoylmethyl Ester SCHEMBL2347515 0.84 KDM4E (0.86) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
Benzoic Acid Carbamoylmethyl Ester SCHEMBL1151117 0.82 KDM4E (0.83) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL6502006 0.81 RAB9A (0.57) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL28838505 0.81 ALDH1A1 (0.64) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL8525800 0.81 KDM4E (0.64) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL582352 0.79 TDP1 (0.63) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL194520 0.79 TDP1 (0.63) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL4586692 0.79 TDP1 (0.63) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL3228114 0.78 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL3228117 0.78 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — WO disclosed
WO-2013149362-A1 1-(DIHYDRONAPHTHALENYL)PYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-10-10 — — WO disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 — — US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 — — US disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 — — US disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 — — WO disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 — — US disclosed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 — — US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 — — EP disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 — — EP disclosed
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 — — EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 — — WO disclosed
WO-1993021168-A1 THIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 — — WO disclosed
US-5137897-A Nonsteroidal antiinflammatory agents; therapy for rheumatic diseases HOECHST AKTIENGESLLSCHAFT (DE) 1992-08-11 — — US disclosed
EP-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 — — EP disclosed
US-4001447-A HAVING HYPOLIPEMIANT, VASODILATATORY AND HYPOCHOLESTEROLEMIANT ACTIVITIES ROUSSEL-UCLAF (FR) 1977-01-04 — — 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 (4 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 KDM4E 1731/4885ALDH1A1 1733/4885L3MBTL1 2811/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDM4E 719/4885ALDH1A1 821/4885L3MBTL1 1012/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 KDM4E 3601/4885ALDH1A1 1079/4885L3MBTL1 594/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD KDM4E 3478/4885ALDH1A1 1696/4885L3MBTL1 4410/4885

“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.