SCHEMBL10284733

SCHEMBL10284733

Cn1c(-c2ccncc2S(N)(=O)=O)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.42
POLB P06746 1/20 0.41
CA12 O43570 7/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 7/20 0.37
ALDH1A1 P00352 1/20 0.36
CA14 Q9ULX7 3/20 0.35
PTGS1 P23219 2/20 0.34
PDE2A O00408 2/20 0.34
PDE7A Q13946 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP17A1 P05093 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34

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
SCHEMBL116514 0.90 POLB (0.41) PTGS2POLBPTGS1PDE2APDE7A
SCHEMBL10284408 0.89 POLB (0.41) PTGS2POLBPTGS1PDE2APDE7A
SCHEMBL355701 0.88 POLB (0.45) PTGS2POLBPTGS1PDE2APDE7A
SCHEMBL13075451 0.88 POLB (0.40) PTGS2POLBALDH1A1PTGS1PDE2A
SCHEMBL10284538 0.88 POLB (0.40) PTGS2POLBALDH1A1PTGS1PDE2A
SCHEMBL10249218 0.85 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL355691 0.83 POLB (0.44) PTGS2POLBPDE2APDE7APDE10A
SCHEMBL357857 0.83 PDE10A (0.48) PTGS2POLBPDE2APDE7APDE10A
SCHEMBL16612050 0.82 POLB (0.45) PTGS2POLBPTGS1PDE10ACYP17A1
SCHEMBL116863 0.82 POLB (0.43) POLBPDE2APDE7APDE10ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 WO 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PTGS2 2157/4885POLB 4724/4885CA12 3308/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PTGS2 2157/4885POLB 4724/4885CA12 3308/4885

“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.