SCHEMBL2084098

SCHEMBL2084098

COC(=O)c1c[nH]c2cc(-c3ccc(O)cc3C)ccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.60
CREBBP Q92793 1/20 0.50
FGFR1 P11362 1/20 0.44
HSD17B1 P14061 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
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
PDK4 Q16654 1/20 0.41
ASH1L Q9NR48 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL2083909 0.90 NR4A2 (0.62) NR4A2CREBBPFGFR1HSD17B1ESR1
SCHEMBL31048762 0.84 NR4A2 (0.72) NR4A2CREBBPCA12CA1CA2
SCHEMBL2434449 0.84 NR4A2 (0.72) NR4A2CREBBPCA12CA1CA2
SCHEMBL2770758 0.79 HSD17B1 (0.56) FGFR1HSD17B1ESR1ESR2CA12
SCHEMBL6588128 0.76 NR4A2 (1.00) NR4A2CREBBPNPC1
SCHEMBL498008 0.76 HSD17B1 (0.44) FGFR1HSD17B1ESR1ESR2CA12
SCHEMBL2770364 0.76 PDK2 (0.50) FGFR1HSD17B1ESR1ESR2CA12
SCHEMBL2775281 0.76 CA12 (0.50) FGFR1HSD17B1ESR1ESR2CA12
SCHEMBL31147988 0.76 NR4A2 (0.63) NR4A2CREBBP
SCHEMBL497991 0.75 NR4A2 (0.51) NR4A2HSD17B1ESR1ESR2CA12

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 14 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-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
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN disclosed
EP-2029547-A1 FXR AGONISTS 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-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 (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 NR4A2 263/4885CREBBP 824/4885FGFR1 213/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR NR4A2 1079/4885CREBBP 1790/4885FGFR1 505/4885

“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.