SCHEMBL5215925

SCHEMBL5215925

CS(=O)(=O)c1ccc(-c2c(-c3ccc(O)cc3)n[nH]c2-c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
PTGS2 P35354 8/20 0.47
PTGS1 P23219 7/20 0.47
RPS6KA3 P51812 2/20 0.44
CDK2 P24941 2/20 0.44
MELK Q14680 2/20 0.44
EEF2K O00418 1/20 0.44
PLK4 O00444 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
NTRK1 P04629 1/20 0.44
CDK1 P06493 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
FER P16591 1/20 0.44
FLT1 P17948 1/20 0.44
RPS6KB1 P23443 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
SCHEMBL8011429 0.79 RPS6KA3 (0.69) RPS6KA3CDK2MELKEEF2KPLK4
SCHEMBL6620051 0.77 PTGS2 (0.55) PTGS2PTGS1RPS6KA3
SCHEMBL7539198 0.76 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6620090 0.76 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL388018 0.74 ENPP2 (0.86) ENPP2PTGS2PTGS1MELKMAP4K4
SCHEMBL8637748 0.72 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7779618 0.72 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6438782 0.72 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL1535 0.72 ENPP2 (1.00) ENPP2PTGS2PTGS1MELKMAP4K4
SCHEMBL7777288 0.71 PTGS2 (0.45) PTGS2PTGS1

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 ENPP2 425/4885PTGS2 1183/4885PTGS1 654/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ENPP2 425/4885PTGS2 1183/4885PTGS1 654/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ENPP2 425/4885PTGS2 1183/4885PTGS1 654/4885

“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.