SCHEMBL4131144

SCHEMBL4131144

O=C(O)NCCc1cc(S(=O)(=O)c2ccc(Cl)nc2)n(-c2cccc(F)c2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.36
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
EPHX2 P34913 3/20 0.34
PTGS2 P35354 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 2/20 0.32
RORC P51449 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 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
SCHEMBL4131518 0.93 SCN9A (0.37) NAMPTCYP2C9GAAHSD17B1HSD17B2
SCHEMBL4139322 0.93 GAA (0.36) NAMPTCYP2C9GAAHSD17B1HSD17B2
SCHEMBL4130559 0.93 GAA (0.39) NAMPTCYP2C9GAAKCNQ3KCNQ2
SCHEMBL3704869 0.92 P2RX7 (0.37) NAMPTEPHX2PTGS2P2RX7RORC
SCHEMBL4126509 0.90 RIPK1 (0.37) NAMPTCYP2C9GAAHSD17B1HSD17B2
SCHEMBL4118159 0.89 GAA (0.35) NAMPTCYP2C9GAAHSD17B1HSD17B2
SCHEMBL4135433 0.88 NAMPT (0.37) NAMPTALDH1A1HTT
SCHEMBL4126274 0.87 GAA (0.40) NAMPTCYP2C9GAAEPHX2PTGS2
SCHEMBL4130741 0.87 CNR1 (0.39) NAMPTCYP2C9GAAKCNQ3KCNQ2
SCHEMBL3812573 0.87 KCNQ3 (0.36) NAMPTCYP2C9GAAKCNQ3KCNQ2

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 2129/4885CYP2C9 689/4885GAA 7/4885

“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.