SCHEMBL2082887

SCHEMBL2082887

COC(=O)c1cc(C)c(-c2ccc(O)cc2Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.59
ESR2 Q92731 8/20 0.59
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
ATM Q13315 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MCL1 Q07820 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 2/20 0.39

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
SCHEMBL498099 0.87 ESR2 (0.56) ESR1ESR2OPRD1KDM4EL3MBTL1
SCHEMBL2085767 0.78 ESR1 (0.61) ESR1ESR2ALDH1A1HPGDCA12
SCHEMBL2158887 0.75 PTGS1 (0.55) ESR1OPRD1KDM4EL3MBTL1GAA
SCHEMBL498321 0.75 KDM4E (0.60) ESR1ESR2OPRD1KDM4EL3MBTL1
SCHEMBL12483067 0.74 OPRD1 (0.54) OPRD1KDM4EL3MBTL1MAPTRAB9A
SCHEMBL497921 0.73 ESR2 (0.63) ESR1ESR2ALDH1A1HPGDCA12
SCHEMBL2158435 0.73 OPRD1 (0.55) ESR1OPRD1KDM4EL3MBTL1GAA
SCHEMBL2841088 0.72 OPRD1 (0.58) OPRD1KDM4EL3MBTL1GAAGLA
SCHEMBL14485143 0.72 OPRD1 (0.45) OPRD1KDM4EL3MBTL1GAAGLA
SCHEMBL16302070 0.71 DAO (0.69) OPRD1KDM4EL3MBTL1ATMMAPT

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-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
CN-101448791-B Fxr agonists LILLY CO ELI 2011-11-16 CN disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 US disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 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 (2 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 ESR1 836/4885ESR2 216/4885OPRD1 687/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR ESR1 896/4885ESR2 342/4885OPRD1 490/4885

“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.