SCHEMBL4125960

SCHEMBL4125960

Cc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2cc(F)ccc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.38
PTGS2 P35354 2/20 0.37
CNR1 P21554 2/20 0.33
P2RX7 Q99572 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HTT P42858 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL4125575 0.93 NAMPT (0.38) NAMPTPTGS2P2RX7CYP2C9PTGDR2
SCHEMBL4131063 0.93 NAMPT (0.38) NAMPTPTGS2CYP2C9
SCHEMBL4125915 0.93 CNR1 (0.38) NAMPTPTGS2CNR1P2RX7
SCHEMBL4129210 0.91 P2RX7 (0.37) NAMPTPTGS2CNR1P2RX7PTGDR2
SCHEMBL3812573 0.90 KCNQ3 (0.36) NAMPTCNR1CYP2C9HTTKCNQ3
SCHEMBL4130432 0.90 NAMPT (0.39) NAMPTPTGS2CYP2C9
SCHEMBL4125823 0.87 NAMPT (0.38) NAMPTPTGS2P2RX7CYP2C9
SCHEMBL4134998 0.87 NAMPT (0.38) NAMPTPTGS2CNR1CYP2C9
SCHEMBL4126977 0.87 NAMPT (0.38) NAMPT
SCHEMBL4125917 0.87 HTR2A (0.36) PTGS2CNR1PTGDR2HTT

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 NAMPT 2129/4885PTGS2 269/4885CNR1 938/4885

“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.