SCHEMBL116514

SCHEMBL116514

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PTGS2 P35354 11/20 0.41
PDE2A O00408 2/20 0.40
PTGS1 P23219 2/20 0.39
PDE7A Q13946 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP17A1 P05093 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
GPBAR1 Q8TDU6 2/20 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
SCHEMBL10284733 0.90 PTGS2 (0.42) POLBPTGS2PDE2APTGS1PDE7A
SCHEMBL10284408 0.90 POLB (0.41) POLBPTGS2PDE2APTGS1PDE7A
SCHEMBL355701 0.89 POLB (0.45) POLBPTGS2PDE2APTGS1PDE7A
SCHEMBL10284538 0.89 POLB (0.40) POLBPTGS2PDE2APTGS1PDE7A
SCHEMBL13075451 0.89 POLB (0.40) POLBPTGS2PDE2APTGS1PDE7A
SCHEMBL15412816 0.87 PDE2A (0.53) POLBPTGS2PDE2APTGS1
SCHEMBL10249227 0.85 PDE10A (0.37) POLBPTGS2PDE2APTGS1PDE10A
SCHEMBL357857 0.84 PDE10A (0.48) POLBPTGS2PDE2APDE7APDE10A
SCHEMBL169041 0.83 PDE2A (0.50) POLBPTGS2PDE2APDE7APDE10A
SCHEMBL16612050 0.83 POLB (0.45) POLBPTGS2PTGS1PDE10ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
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-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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 POLB 4724/4885PTGS2 2157/4885PDE2A 4247/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885PTGS2 2157/4885PDE2A 4247/4885

“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.