SCHEMBL4135584

SCHEMBL4135584

O=C(O)NCCc1nc(-c2ccccc2F)c(S(=O)(=O)c2ccc(Cl)nc2)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HIF1A Q16665 3/20 0.38
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 2/20 0.36
CYP2C9 P11712 1/20 0.36
PTGS2 P35354 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4125989 0.89 GAA (0.36) GAAHSD17B1HSD17B2SMN1; SMN2NPC1
SCHEMBL4118513 0.88 MAPT (0.37) GAAHIF1ASMN1; SMN2PTGS2FFAR1
SCHEMBL4132297 0.85 KMT2A (0.39) GAAHIF1ASMN1; SMN2NPC1RAB9A
SCHEMBL4135579 0.82 ALDH1A1 (0.43) GAAHSD17B1HSD17B2SMN1; SMN2NAMPT
Hydrochloric Acid SCHEMBL3654381 0.81 PTGS2 (0.38) GAAHSD17B1HSD17B2SMN1; SMN2PTGS2
SCHEMBL4120397 0.81 MAPT (0.38) HIF1ASMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL4129177 0.81 KAT6A (0.39) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4129852 0.79 HIF1A (0.38) GAAHIF1ASMN1; SMN2NPC1RAB9A
SCHEMBL4119867 0.79 MAPT (0.41) GAASMN1; SMN2NAMPTALDH1A1TP53
SCHEMBL3652363 0.78 ALDH1A1 (0.38) GAAHSD17B1HSD17B2SMN1; SMN2PTGS2

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 7/4885HIF1A 3779/4885HSD17B1 629/4885

“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.