SCHEMBL4443151

SCHEMBL4443151

NC(=O)c1ccc(-c2cc(F)nc(F)c2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.45
PTGES O14684 1/20 0.40
CES2 O00748 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP1 P29466 1/20 0.39
ERN1 O75460 1/20 0.39
PARP1 P09874 2/20 0.38
KMO O15229 2/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
KIF11 P52732 1/20 0.37
RXRG P48443 1/20 0.37
DGAT1 O75907 1/20 0.36
RET P07949 1/20 0.36
CHUK O15111 1/20 0.36

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
SCHEMBL4447731 0.85 AAK1 (0.46) GPR52CES2CASP1KMOCHUK
SCHEMBL5105678 0.82 MAP4K4 (0.43) GPR52PTGESCES2KDM4EALDH1A1
SCHEMBL4448921 0.80 CHUK (0.58) GPR52CASP1KIF11CHUKMKNK1
SCHEMBL30131558 0.80 IKBKB (0.56) GPR52CES2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4439147 0.79 CHUK (0.56) GPR52CASP1KIF11CHUKMKNK1
SCHEMBL4442113 0.79 PDK2 (0.45) GPR52CES2CASP1ERN1CHUK
SCHEMBL4447715 0.78 CYP11B2 (0.47) GPR52KDM4EALDH1A1HPGDMAPK1
SCHEMBL4443159 0.76 KIF11 (0.43) KDM4EKIF11MPL
SCHEMBL4442762 0.75 MKNK1 (0.66) ERN1KMOMKNK1MKNK2
SCHEMBL1032909 0.75 CES2 (0.47) PTGESCES2PARP1DGAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 GPR52 1576/4885PTGES 1764/4885CES2 165/4885

“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.