SCHEMBL5219332

SCHEMBL5219332

Cc1c(-c2ccc(O)cc2)nn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
CYP2C9 P11712 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL8420778 0.87 PTGS1 (0.59) PTGS2ALOX5PTGS1
SCHEMBL5216299 0.85 ESR1 (0.64) ESR1CYP2C9KDM4ETP53CYP1A2
SCHEMBL5216611 0.80 KDM4E (0.55) ESR1CYP2C9KDM4ETP53CYP1A2
SCHEMBL8120834 0.75 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8423846 0.75 PTGS1 (0.58) PTGS2ALOX5PTGS1
SCHEMBL8764563 0.75 PTGS2 (0.55) CYP2C9CYP1A2CYP2D6MELKPTGS2
SCHEMBL5218014 0.75 KDM4E (0.62) ESR1CYP2C9KDM4ETP53CYP1A2
SCHEMBL8765491 0.75 PTGS2 (0.47) ESR1CYP2C9KDM4ETP53CYP1A2
SCHEMBL8420728 0.75 PTGS1 (0.60) PTGS2ALOX5PTGS1
SCHEMBL8423922 0.74 MELK (0.59) MELKPTGS2ENPP2PTGS1

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 9 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

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 ESR1 1/4885CYP2C9 2255/4885KDM4E 2354/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885CYP2C9 2255/4885KDM4E 2354/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885CYP2C9 2255/4885KDM4E 2354/4885

“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.