SCHEMBL4125915

SCHEMBL4125915

Cc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2ccc(F)cc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.38
NAMPT P43490 4/20 0.38
CNR2 P34972 7/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS2 P35354 2/20 0.37
P2RX7 Q99572 1/20 0.35

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
SCHEMBL4125960 0.93 NAMPT (0.38) CNR1NAMPTPTGS2P2RX7
SCHEMBL4134998 0.93 NAMPT (0.38) CNR1NAMPTPTGS2
SCHEMBL4125575 0.91 NAMPT (0.38) NAMPTPTGS2P2RX7
SCHEMBL4130741 0.90 CNR1 (0.39) CNR1NAMPTCNR2P2RX7
SCHEMBL4130432 0.90 NAMPT (0.39) NAMPTPTGS2
SCHEMBL4129210 0.89 P2RX7 (0.37) CNR1NAMPTCNR2PTGS2P2RX7
SCHEMBL4131063 0.87 NAMPT (0.38) NAMPTPTGS2
SCHEMBL4125823 0.87 NAMPT (0.38) NAMPTPTGS2P2RX7
SCHEMBL4135640 0.86 NAMPT (0.37) NAMPTPTGS2P2RX7
SCHEMBL3704869 0.85 P2RX7 (0.37) NAMPTPTGS2P2RX7

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CNR1 938/4885NAMPT 2129/4885CNR2 820/4885

“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.