SCHEMBL4139322

SCHEMBL4139322

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NAMPT P43490 3/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
PTGS2 P35354 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
RORC P51449 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK8 P45983 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
SCHEMBL4131518 0.93 SCN9A (0.37) GAANAMPTCYP2C9HSD17B1HSD17B2
SCHEMBL4126509 0.93 RIPK1 (0.37) GAANAMPTCYP2C9HSD17B1HSD17B2
SCHEMBL4131144 0.93 NAMPT (0.37) GAANAMPTCYP2C9HSD17B1HSD17B2
SCHEMBL4130559 0.93 GAA (0.39) GAANAMPTCYP2C9SMN1; SMN2NPC1
SCHEMBL4118159 0.92 GAA (0.35) GAANAMPTCYP2C9HSD17B1HSD17B2
SCHEMBL4135640 0.90 NAMPT (0.37) NAMPTCYP2C9SMN1; SMN2EPHX2PTGS2
SCHEMBL4126274 0.87 GAA (0.40) GAANAMPTCYP2C9SMN1; SMN2NPC1
SCHEMBL4127066 0.87 EPHX2 (0.36) SMN1; SMN2NPC1RAB9AEPHX2PTGS2
SCHEMBL3812573 0.87 KCNQ3 (0.36) GAANAMPTCYP2C9SMN1; SMN2NPC1
SCHEMBL4130741 0.87 CNR1 (0.39) GAANAMPTCYP2C9KCNQ3KCNQ2

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 GAA 7/4885NAMPT 2129/4885CYP2C9 689/4885

“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.