SCHEMBL3774000

SCHEMBL3774000

CCCCCCCCCCCCc1cc(Br)sc1-c1cc2sc(-c3sc(Br)cc3CCCCCCCCCCCC)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.36
ALOX5 P09917 4/20 0.35
TYR P14679 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
PTGS2 P35354 5/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL12887140 0.89 ALOX5 (0.36) GPR35ALOX5TYRMEN1TP53
SCHEMBL2363742 0.87 ALOX5 (0.41) GPR35ALOX5TYRMEN1TP53
SCHEMBL4584517 0.87 ALOX5 (0.41) GPR35ALOX5TYRMEN1TP53
SCHEMBL2308334 0.87 ALOX5 (0.41) GPR35ALOX5TYRMEN1TP53
SCHEMBL15724614 0.86 ALOX5 (0.39) GPR35ALOX5TYRMEN1TP53
SCHEMBL15247276 0.85 ALOX5 (0.33) GPR35ALOX5TYRMEN1TP53
SCHEMBL15724617 0.85 ALOX5 (0.36) GPR35ALOX5TYRMEN1TP53
SCHEMBL27510160 0.85 ALOX5 (0.38) GPR35ALOX5TYRMEN1TP53
SCHEMBL10021733 0.84 ALOX5 (0.38) GPR35ALOX5TYRMEN1TP53
SCHEMBL2971213 0.84 ALOX5 (0.38) GPR35ALOX5TYRMEN1TP53

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-8329915-B2 Thienothiophene derivatives NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-12-11 US disclosed
US-8329915-B2 Thienothiophene derivatives NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-12-11 US disclosed
US-20100331550-A1 THIENOTHIOPHENE DERIVATIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-12-30 US disclosed
US-20100331550-A1 THIENOTHIOPHENE DERIVATIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-12-30 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-20100331550-A1 THIENOTHIOPHENE DERIVATIVES TST, TPST2, TH GPR35 949/4885ALOX5 872/4885TYR 8/4885

“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.