SCHEMBL5215929

SCHEMBL5215929

CS(=O)(=O)c1ccc(-n2nc(-c3ccc(O)cc3)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.82
RARA P10276 5/20 0.60
RARB P10826 5/20 0.60
RARG P13631 5/20 0.60
RXRA P19793 5/20 0.60
ALOX5 P09917 1/20 0.56
CYP2C9 P11712 2/20 0.56
PTGS1 P23219 1/20 0.55

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
SCHEMBL8420755 0.94 PTGS2 (0.79) PTGS2RARARARBRARGRXRA
SCHEMBL8423360 0.94 PTGS2 (0.79) PTGS2RARARARBRARGRXRA
SCHEMBL8420247 0.88 CYP2C9 (0.71) PTGS2RARARARBRARGRXRA
SCHEMBL8420804 0.86 PTGS2 (0.88) PTGS2RARARARBRARGRXRA
SCHEMBL8421061 0.86 PTGS2 (0.88) PTGS2RARARARBRARGRXRA
SCHEMBL8421924 0.86 PTGS2 (0.72) PTGS2RARARARBRARGRXRA
SCHEMBL8420730 0.86 PTGS2 (0.88) PTGS2RARARARBRARGRXRA
SCHEMBL8126154 0.86 CYP2C9 (0.70) PTGS2CYP2C9PTGS1
SCHEMBL8520539 0.86 RARG (0.80) PTGS2RARARARBRARGRXRA
SCHEMBL5216095 0.85 PTGS2 (0.60) PTGS2RARGRXRACYP2C9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
US-5434178-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G.D. SEARLE & CO. (US) 1995-07-18 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS2 1183/4885RARA 373/4885RARB 470/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 PTGS2 1183/4885RARA 373/4885RARB 470/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS2 1183/4885RARA 373/4885RARB 470/4885

“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.