SCHEMBL5730165

SCHEMBL5730165

CC(Oc1ccc(S(=O)(=O)c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1)C1CCCCN1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.32
PTGS2 P35354 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL5729707 0.84 SLC6A2 (0.34) PTGS2ALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5730042 0.84 SLC6A2 (0.34) PTGS2ALDH1A1HPGDCYP2D6MAPK1
SCHEMBL6307449 0.84 PTGS1 (0.35) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5729286 0.82 PTGS1 (0.34) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL5730209 0.80 S1PR1 (0.34) ALDH1A1HPGDCYP2D6MAPK1CYP2C19
SCHEMBL5729633 0.79 SLC6A2 (0.37) PTGS2ALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5729513 0.79 SLC6A2 (0.37) PTGS2ALDH1A1HPGDCYP2D6MAPK1
SCHEMBL5731066 0.79 PTGS1 (0.34) ALDH1A1
SCHEMBL5730167 0.79 CHEK2 (0.42) PTGS2
SCHEMBL5730779 0.78 ALDH1A1 (0.30) ALDH1A1HPGDCYP2D6MAPK1CYP2C19

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
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
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 FFAR2 180/4885PTGS2 728/4885ALDH1A1 3101/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 FFAR2 180/4885PTGS2 728/4885ALDH1A1 3101/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 FFAR2 212/4885PTGS2 515/4885ALDH1A1 2294/4885

“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.