SCHEMBL7448176

SCHEMBL7448176

CC(=O)O[C@@H](C(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
AKR1C3 P42330 1/20 0.33
KCNH2 Q12809 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PGR P06401 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 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
SCHEMBL6513419 1.00 ALDH1A1 (0.44) ALDH1A1CYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL6522541 0.86 CHRNA1 (0.41) ALDH1A1CYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL6516423 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4CES2CES1CYP19A1
SCHEMBL48662 0.71 PIK3CD (0.39) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7861165 0.70 CCR2 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGAKR1C3
SCHEMBL1581645 0.69 NMT1 (0.49) CA1CA2KMT2A
SCHEMBL29430705 0.69 NMT1 (0.49) CA1CA2KMT2A
SCHEMBL13172618 0.69 AKR1C3 (0.44) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6514098 0.69 KCNH2 (0.41) AKR1C3KCNH2KMT2A
SCHEMBL6723560 0.68 ALDH1A1 (0.44) ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 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-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 ALDH1A1 599/4885CYP3A4 530/4885PIK3CD 4239/4885

“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.