SCHEMBL3551406

SCHEMBL3551406

c1ccc(-c2ccsc2-c2ccco2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
SMARCA2 P51531 1/20 0.44
PBRM1 Q86U86 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 2/20 0.41
BLM P54132 2/20 0.41
CASP7 P55210 2/20 0.41

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
SCHEMBL12270233 0.87 TOP1 (0.41) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL1800270 0.85 HSD17B10 (0.41) ALDH1A1HSD17B10KDM4EHPGDNPC1
SCHEMBL12270203 0.76 TOP1 (0.41) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL1681771 0.76 PTGS2 (0.65) PTGS2BCAT2PTGS1
Ammonia Solution, Strong SCHEMBL28994523 0.74 PTGS2 (0.62) PTGS2BCAT2PTGS1
Hydrogen Sulfide SCHEMBL27804205 0.74 PTGS2 (0.62) PTGS2BCAT2PTGS1
SCHEMBL2782853 0.74 PTGS2 (0.68) PTGS2BCAT2PTGS1
SCHEMBL7737501 0.72 PTGS2 (0.66) PTGS2BCAT2PTGS1
SCHEMBL12270289 0.72 PTGS2 (0.56) PTGS2BCAT2PTGS1
SCHEMBL2133316 0.72 PTGS2 (0.66) PTGS2BCAT2PTGS1

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-7834216-B2 Desmosdumotins, the method for preparing the same and use as anti-tumor or anti-AIDS agents Wu, Jiuhong (CN) 2010-11-16 US claimed
US-20090233998-A1 Desmosdumotins, the Method for Preparing the Same and Use as Anti-Tumor or Anti-AIDS Agents WU, JIUHONG (CN) 2009-09-17 US claimed

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-20090233998-A1 Desmosdumotins, the Method for Preparing the Same and Use as Anti-Tumor or Anti-AIDS Agents DSG1, DSC1, SOST PTGS2 3607/4885SMARCA2 240/4885PBRM1 376/4885

“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.