SCHEMBL7658934

SCHEMBL7658934

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
ENPP2 Q13822 1/20 0.45
RAD51 Q06609 1/20 0.44
THRB P10828 9/20 0.43
THRA P10827 6/20 0.43
VDR P11473 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NT5E P21589 1/20 0.41

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
SCHEMBL7658947 1.00 VCAM1 (0.47) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL7659049 0.94 VCAM1 (0.53) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL7662894 0.94 VCAM1 (0.53) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL8019665 0.90 VCAM1 (0.48) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL8019666 0.90 VCAM1 (0.48) VCAM1ENPP2RAD51THRBTHRA
SCHEMBL7664975 0.84 RAD51 (0.53) ENPP2RAD51MEN1KMT2A
SCHEMBL7664967 0.84 RAD51 (0.53) ENPP2RAD51MEN1KMT2A
SCHEMBL7667762 0.82 ENPP2 (0.54) ENPP2RAD51MEN1MAPTKMT2A
SCHEMBL7667811 0.82 ENPP2 (0.54) ENPP2RAD51MEN1MAPTKMT2A
SCHEMBL7659054 0.80 ALDH1A1 (0.49) VCAM1RAD51MEN1MAPTKMT2A

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 disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO 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.