SCHEMBL5729973

SCHEMBL5729973

COc1ccc(C(=O)Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
CPS1 P31327 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL1983309 0.86 AKR1C3 (0.53) EPHX2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL28899309 0.86 NPC1 (0.58) EPHX2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL3394380 0.85 ALDH1A1 (0.59) EPHX2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL23668248 0.84 KDM4E (0.47) EPHX2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL5460005 0.83 MAPK10 (0.53) EPHX2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL22979384 0.83 KDM4E (0.51) EPHX2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL2633928 0.83 EPHX2 (0.54) EPHX2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL26020311 0.82 EPHX2 (0.47) EPHX2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL19230564 0.81 MAPT (0.48) EPHX2NPC1RAB9AALDH1A1LMNA
SCHEMBL26440433 0.81 LIMK1 (0.49) EPHX2NPC1RAB9AALDH1A1CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
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-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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 EPHX2 4780/4885NPC1 1265/4885RAB9A 2622/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 EPHX2 612/4885NPC1 1144/4885RAB9A 3093/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 EPHX2 815/4885NPC1 511/4885RAB9A 3688/4885

“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.