SCHEMBL498099

SCHEMBL498099

COC(=O)c1cc(C)c(-c2ccc(O)cc2C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.56
ESR1 P03372 9/20 0.56
OPRD1 P41143 1/20 0.46
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
ATM Q13315 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL2082887 0.87 ESR1 (0.59) ESR2ESR1OPRD1KDM4EL3MBTL1
SCHEMBL498321 0.84 KDM4E (0.60) ESR2ESR1OPRD1KDM4EL3MBTL1
SCHEMBL497921 0.79 ESR2 (0.63) ESR2ESR1ALDH1A1HPGDCA12
SCHEMBL1525201 0.79 ESR1 (0.51) ESR2ESR1OPRD1KDM4EL3MBTL1
SCHEMBL12764384 0.78 VDR (0.42) ESR2ESR1OPRD1KDM4EL3MBTL1
SCHEMBL498012 0.76 ESR2 (0.51) ESR2ESR1OPRD1KDM4EMAPT
SCHEMBL13088493 0.74 HPGD (0.68) OPRD1KDM4EL3MBTL1GAAGLA
SCHEMBL2773084 0.73 CA12 (0.58) ESR2ESR1KDM4EGAAGLA
SCHEMBL3725072 0.72 CSNK2A2 (0.46) OPRD1KDM4EL3MBTL1GAAGLA
SCHEMBL14485418 0.72 OPRD1 (0.74) OPRD1KDM4EL3MBTL1GAAGLA

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 20 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
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
CN-101374834-B Compounds and methods for modulating FXR ELI LILLY AND CO. (US) 2011-12-14 CN 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
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
CN-101448798-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-06-03 CN disclosed
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
CN-101374834-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-02-25 CN 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
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007092751-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-16 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 ESR2 216/4885ESR1 836/4885OPRD1 687/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR ESR2 342/4885ESR1 896/4885OPRD1 490/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ESR2 467/4885ESR1 2766/4885OPRD1 1631/4885

“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.