SCHEMBL5730167

SCHEMBL5730167

O=S(=O)(c1ccc(OCCC2CCCCN2)cc1)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.42
CHEK1 O14757 1/20 0.39
SSTR2 P30874 2/20 0.38
LTA4H P09960 6/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH2 P05091 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL5729709 0.84 CHEK2 (0.44) CHEK2CHEK1SSTR2LTA4HESR1
SCHEMBL5730047 0.84 CHEK2 (0.44) CHEK2CHEK1SSTR2LTA4HESR1
SCHEMBL5729282 0.82 CHEK2 (0.49) CHEK2CHEK1SSTR2LTA4HESR1
SCHEMBL5730204 0.81 CHEK2 (0.42) CHEK2CHEK1SSTR2LTA4HESR1
SCHEMBL5730169 0.80 ESR1 (0.53) ESR1ESR2
SCHEMBL5731064 0.79 CHEK2 (0.45) CHEK2CHEK1LTA4HESR1ESR2
SCHEMBL5730165 0.79 FFAR2 (0.32) PTGS2
SCHEMBL5729625 0.79 CHEK2 (0.46) CHEK2CHEK1SSTR2LTA4HESR1
SCHEMBL5729507 0.79 CHEK2 (0.46) CHEK2CHEK1SSTR2LTA4HESR1
SCHEMBL5730770 0.78 CHEK2 (0.45) CHEK2CHEK1SSTR2LTA4HESR1

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 7 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-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

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 CHEK2 1773/4885CHEK1 2950/4885SSTR2 1273/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CHEK2 1773/4885CHEK1 2950/4885SSTR2 1273/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 CHEK2 831/4885CHEK1 1227/4885SSTR2 387/4885

“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.