SCHEMBL7659049

SCHEMBL7659049

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)c4ccc(S(C)(=O)=O)c([N+](=O)[O-])c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
ENPP2 Q13822 1/20 0.50
RAD51 Q06609 1/20 0.48
THRB P10828 10/20 0.47
THRA P10827 7/20 0.47
VDR P11473 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7662894 1.00 VCAM1 (0.53) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL8019665 0.95 VCAM1 (0.48) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL8019666 0.95 VCAM1 (0.48) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL7658934 0.94 VCAM1 (0.47) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL7658947 0.94 VCAM1 (0.47) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL7659041 0.84 ALDH1A1 (0.49) VCAM1RAD51MEN1MAPTKMT2A
SCHEMBL7659054 0.84 ALDH1A1 (0.49) VCAM1RAD51MEN1MAPTKMT2A
SCHEMBL8021340 0.84 VCAM1 (0.55) VCAM1THRBTHRAVDRMEN1
SCHEMBL7659541 0.82 MAPT (0.54) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL7659521 0.82 MAPT (0.54) MEN1MAPTKMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US claimed
US-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-08-15 US disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 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-20020111369-A1 Aryl sulfonic acids and derivatives as FSH antagonists FSHR, GNRHR, LHCGR VCAM1 3121/4885ENPP2 1903/4885RAD51 2639/4885

“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.