SCHEMBL3960185

SCHEMBL3960185

CCOC(=O)Nc1cscc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 2/20 0.40
DPP4 P27487 1/20 0.40
NPC1 O15118 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
SCHEMBL10470286 0.86 PTPN1 (0.56) ALDH1A1HSD17B10KDM4EKMT2ACYP1A2
SCHEMBL2547132 0.84 MAPK8 (0.51) ALDH1A1HSD17B10KDM4EMAPK8MAPK9
SCHEMBL10076110 0.81 MAPK10 (0.56) ALDH1A1HSD17B10KDM4EMAPK8MAPK9
SCHEMBL1490611 0.80 NPC1 (0.57) ALDH1A1HSD17B10KDM4EMAPK8MAPK9
SCHEMBL28651663 0.80 TSHR (0.52) ALDH1A1HSD17B10KDM4EKMT2AALOX15
SCHEMBL6220756 0.78 MAPT (0.51) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL11817902 0.78 MAPK8 (0.57) ALDH1A1HSD17B10KDM4EMAPK8MAPK9
SCHEMBL9209481 0.78 ATR (0.50) KDM4EMAPK8MAPK9MAPK10
SCHEMBL4765220 0.78 MAPK8 (0.45) ALDH1A1KDM4EMAPK8MAPK9MAPK10
SCHEMBL4066272 0.77 MAPK8 (0.52) ALDH1A1HSD17B10KDM4EMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 CN disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ALDH1A1 2929/4885HSD17B10 4618/4885KDM4E 2890/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ALDH1A1 2196/4885HSD17B10 4236/4885KDM4E 2891/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS ALDH1A1 1704/4885HSD17B10 3992/4885KDM4E 2928/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ALDH1A1 2196/4885HSD17B10 4236/4885KDM4E 2891/4885

“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.