SCHEMBL5474697

SCHEMBL5474697

CCOC(=O)c1scc(C#N)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.42
BRAF P15056 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FNTA P49354 1/20 0.40

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
SCHEMBL18430438 0.85 NPSR1 (0.43) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL3137983 0.84 MAPK8 (0.45) ALDH1A1KDM4EHPGDMAPK8MAPK9
SCHEMBL3125258 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPK8MAPK9
SCHEMBL18430412 0.81 MAPK8 (0.45) ALDH1A1KDM4EHPGDMAPK8MAPK9
SCHEMBL6593101 0.78 KDM4E (0.42) ALDH1A1KDM4EHPGDMAPK8MAPK9
SCHEMBL3010802 0.78 ADRA2A (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL18430510 0.78 GPR35 (0.37) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL5732187 0.77 HTT (0.49) ALDH1A1KDM4EHPGDMAPK8MAPK9
SCHEMBL3139168 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPK8MAPK9
SCHEMBL31062581 0.76 GAA (0.49) ALDH1A1KDM4EHPGDMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
US-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 US disclosed
US-9567465-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-02-14 US disclosed
US-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 US disclosed
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators ASTEX THERAPEUTICS, LTD. (UK) 2007-09-06 US disclosed
US-7144902-B1 Prodrugs of thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2006-12-05 US disclosed
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 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 (1 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-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators MAPK1, MAPK3, MAPK10 ALDH1A1 3862/4885KDM4E 1198/4885HPGD 2581/4885

“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.