SCHEMBL4136915

SCHEMBL4136915

Cc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2cccc(C)c2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.37
PTGS2 P35354 3/20 0.33
EPHX2 P34913 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL4135640 0.93 NAMPT (0.37) NAMPTPTGS2EPHX2CYP2C9ALDH1A1
SCHEMBL4118159 0.91 GAA (0.35) NAMPTPTGS2EPHX2CYP2C9ALDH1A1
SCHEMBL4119630 0.91 RIPK1 (0.38) NAMPTPTGS2EPHX2ALDH1A1SMN1; SMN2
SCHEMBL4125823 0.90 NAMPT (0.38) NAMPTPTGS2EPHX2CYP2C9
SCHEMBL4130432 0.89 NAMPT (0.39) NAMPTPTGS2EPHX2CYP2C9ALDH1A1
SCHEMBL3704869 0.88 P2RX7 (0.37) NAMPTPTGS2EPHX2
SCHEMBL4125575 0.86 NAMPT (0.38) NAMPTPTGS2CYP2C9CA2CA4
SCHEMBL4135868 0.85 NAMPT (0.39) NAMPTPTGS2EPHX2ALDH1A1SMN1; SMN2
SCHEMBL4131063 0.85 NAMPT (0.38) NAMPTPTGS2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL4125960 0.85 NAMPT (0.38) NAMPTPTGS2CYP2C9HTT

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 269/4885EPHX2 711/4885

“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.