SCHEMBL6505328

SCHEMBL6505328

Cc1ccc(-c2nc(-c3ccc([S+](C)[O-])cc3)sc2-c2ccncc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.51
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.39
CDC7 O00311 4/20 0.38
DBF4 Q9UBU7 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 3/20 0.37

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
SCHEMBL6508320 0.87 MAPK14 (0.55) MAPK14PTGS2ALDH1A1CDC7DBF4
SCHEMBL6284207 0.86 MAPK14 (0.69) MAPK14PTGS2CDC7DBF4
SCHEMBL6285603 0.85 MAPK14 (0.50) MAPK14PTGS2ALDH1A1MEN1LMNA
SCHEMBL6501123 0.83 PTGS2 (0.67) MAPK14PTGS2CDC7DBF4KDM4E
SCHEMBL6502554 0.83 PTGS2 (0.51) MAPK14PTGS2ALDH1A1MEN1LMNA
SCHEMBL6498802 0.82 PTGS2 (0.52) MAPK14PTGS2ALDH1A1LMNAMAPT
SCHEMBL6503440 0.81 MAPK14 (0.76) MAPK14PTGS2
SCHEMBL6501754 0.81 MAPK14 (0.50) MAPK14PTGS2ALDH1A1MEN1LMNA
SCHEMBL6283027 0.81 MAPK14 (0.50) MAPK14PTGS2ALDH1A1MEN1LMNA
SCHEMBL6283030 0.80 MAPK14 (0.49) MAPK14PTGS2ALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP 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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885PTGS2 57/4885ALDH1A1 3345/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885PTGS2 109/4885ALDH1A1 3292/4885

“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.