SCHEMBL7062780

SCHEMBL7062780

COc1ccc(OC)c(C(=O)c2cc3nccc(S(=O)(=O)c4ccccc4)c3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FEN1 P39748 1/20 0.40
TP53 P04637 1/20 0.40
KDM4C Q9H3R0 4/20 0.40
KDM5A P29375 3/20 0.40
KDM5B Q9UGL1 3/20 0.40
ATM Q13315 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
SRC P12931 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL7060983 0.85 HSD11B1 (0.48) HSD11B1RAB9AMAPTHTTNPSR1
SCHEMBL7062024 0.77 ALDH1A1 (0.44) HSD11B1RAB9AMAPTHTTALDH1A1
SCHEMBL7063837 0.74 HTR6 (0.43) HSD11B1RAB9AMAPTTP53SRC
SCHEMBL7067545 0.73 HTR6 (0.40) NPSR1ALDH1A1FEN1SRCTGFBR1
SCHEMBL7060431 0.72 KDM4C (0.47) MAPTHTTNPSR1ALDH1A1FEN1
SCHEMBL7612318 0.71 CASP3 (0.39) MAPTNPSR1TP53KMT2A
SCHEMBL7066081 0.69 KAT6A (0.48) HSD11B1RAB9AHTTNPSR1CYP3A4
SCHEMBL7065226 0.69 FBP1 (0.42) RAB9AMAPTHTTNPSR1ALDH1A1
SCHEMBL7065124 0.68 MEN1 (0.43) RAB9AMAPTHTTNPSR1TP53
SCHEMBL10003278 0.68 ALDH1A1 (0.39) RAB9AMAPTNPSR1ALDH1A1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HSD11B1 577/4885RAB9A 2603/4885MAPT 223/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HSD11B1 577/4885RAB9A 2603/4885MAPT 223/4885

“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.