SCHEMBL4126636

SCHEMBL4126636

O=C(O)NCCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccc(Cl)nc2)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
CYP2C19 P33261 1/20 0.35
NAMPT P43490 3/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM4 Q14833 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIP4K2A P48426 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
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
SCHEMBL4117748 0.88 LIPG (0.32) GRM4PIP4K2APIP4K2C
SCHEMBL4125903 0.88 NAMPT (0.38) NAMPTCYP2C9GRM4TDP1PIP4K2A
SCHEMBL4117665 0.86 LIPG (0.34) NAMPTPIP4K2APIP4K2C
SCHEMBL4125700 0.84 ALDH1A1 (0.38) NAMPTALDH1A1
SCHEMBL4136589 0.84 LIPG (0.33) PIP4K2APIP4K2C
SCHEMBL4125989 0.83 GAA (0.36) GAAHSD17B1HSD17B2CYP2C19NAMPT
SCHEMBL4126631 0.83 ALDH1A1 (0.41) GAAHSD17B1HSD17B2CYP2C19NAMPT
SCHEMBL4132234 0.83 ATM (0.38) NAMPTNPC1RAB9AALDH1A1GRM4
SCHEMBL3803076 0.83 ALDH1A1 (0.34) GAAHSD17B1HSD17B2CYP2C19NAMPT
SCHEMBL4127371 0.82 MAOA (0.35) NAMPTKDM4EMEN1KMT2AHTT

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 7/4885HSD17B1 629/4885HSD17B2 651/4885

“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.