SCHEMBL5729323

SCHEMBL5729323

CCc1c(-c2ccc(O)cc2)noc1-c1ccc(S)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 4/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
HSP90AB1 P08238 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 1/20 0.37
DUSP3 P51452 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL5728759 0.83 ESR1 (0.38) USP7ESR1ESR2S1PR1FFAR4
SCHEMBL5729880 0.83 USP7 (0.40) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5730056 0.82 HSP90AB1 (0.45) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5729008 0.81 HSD17B1 (0.47) USP7ESR1ESR2HSP90AB1DUSP3
SCHEMBL5729197 0.79 ESR1 (0.44) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5729839 0.79 ESR1 (0.41) USP7ESR1ESR2S1PR1HSP90AB1
SCHEMBL5730462 0.76 ESR2 (0.43) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5729828 0.75 ESR2 (0.51) USP7ESR1ESR2MEN1KMT2A
SCHEMBL5729419 0.75 ESR1 (0.46) USP7ESR1ESR2
SCHEMBL15554905 0.75 DUSP3 (0.48) ESR1ESR2S1PR1S1PR3HSP90AB1

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
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 USP7 1964/4885ESR1 1/4885ESR2 2/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 USP7 1964/4885ESR1 1/4885ESR2 2/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 USP7 2931/4885ESR1 3/4885ESR2 1/4885

“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.