SCHEMBL4126509

SCHEMBL4126509

O=C(O)NCCc1cc(S(=O)(=O)c2ccc(Cl)nc2)n(-c2cccc(Cl)c2F)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
GAA P10253 1/20 0.36
NAMPT P43490 4/20 0.35
MDM2 Q00987 2/20 0.35
CYP2C9 P11712 1/20 0.35
RORC P51449 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
EPHX2 P34913 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4139322 0.93 GAA (0.36) GAANAMPTCYP2C9RORCSMN1; SMN2
SCHEMBL4118159 0.92 GAA (0.35) RIPK1GAANAMPTCYP2C9SMN1; SMN2
SCHEMBL4119630 0.92 RIPK1 (0.38) RIPK1NAMPTMDM2RORCSMN1; SMN2
SCHEMBL4126274 0.91 GAA (0.40) GAANAMPTCYP2C9SMN1; SMN2NPC1
SCHEMBL4131144 0.90 NAMPT (0.37) GAANAMPTCYP2C9RORCSMN1; SMN2
SCHEMBL4131518 0.90 SCN9A (0.37) GAANAMPTCYP2C9RORCSMN1; SMN2
SCHEMBL4130559 0.89 GAA (0.39) RIPK1GAANAMPTCYP2C9SMN1; SMN2
SCHEMBL4123666 0.88 ALDH1A1 (0.38) RIPK1GAANAMPTMDM2SMN1; SMN2
SCHEMBL4119395 0.87 KCNQ3 (0.35) GAANAMPTCYP2C9RORCSMN1; SMN2
SCHEMBL4130741 0.85 CNR1 (0.39) GAANAMPTCYP2C9ALDH1A1

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 RIPK1 4203/4885GAA 7/4885NAMPT 2129/4885

“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.