SCHEMBL5729210

SCHEMBL5729210

CCc1c(-c2ccc(O)cc2)noc1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.52
DYRK1B Q9Y463 2/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
TNIK Q9UKE5 2/20 0.39
KIF11 P52732 2/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.36
KIT P10721 2/20 0.36
MAP2K4 P45985 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
IKBKB O14920 1/20 0.35

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
SCHEMBL5729502 0.86 LMNA (0.47) TNIKKIF11KDM4EALDH1A1LMNA
SCHEMBL5729197 0.84 ESR1 (0.44) USP7KDM4EALDH1A1LMNACYP2C9
SCHEMBL6304870 0.83 USP7 (0.47) USP7DYRK1BCLK1DYRK1ADYRK2
SCHEMBL5729419 0.74 ESR1 (0.46) USP7HSD17B1
SCHEMBL4666107 0.73 KIF11 (0.66) USP7DYRK1BCLK1DYRK1ADYRK2
SCHEMBL5729783 0.73 ESR1 (0.48) USP7KDM4EALDH1A1LMNACYP2C9
SCHEMBL5729008 0.73 HSD17B1 (0.47) USP7ALDH1A1CYP2C9HSD17B1HSD17B2
SCHEMBL5730952 0.73 USP7 (0.39) USP7ALDH1A1MAPT
SCHEMBL5729828 0.72 ESR2 (0.51) USP7TNIKHSD17B1HSD17B2
SCHEMBL5729714 0.72 ESR1 (0.44) USP7TNIK

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 1964/4885DYRK1B 2479/4885CLK1 3339/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 USP7 1964/4885DYRK1B 2479/4885CLK1 3339/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 USP7 2931/4885DYRK1B 3773/4885CLK1 3164/4885

“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.