SCHEMBL2083909

SCHEMBL2083909

COC(=O)c1c[nH]c2ccc(-c3ccc(O)cc3C)cc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.62
CREBBP Q92793 1/20 0.50
SPR P35270 1/20 0.46
HSD17B1 P14061 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
BACE1 P56817 1/20 0.42
AXL P30530 1/20 0.42
FGFR1 P11362 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL2084098 0.90 NR4A2 (0.60) NR4A2CREBBPHSD17B1ESR1ESR2
SCHEMBL2083266 0.80 ALDH1A1 (0.51) SPRHSD17B1
SCHEMBL2770758 0.79 HSD17B1 (0.56) HSD17B1ESR1ESR2FGFR1CA12
SCHEMBL25405774 0.77 NR4A2 (1.00) NR4A2CREBBPAXL
SCHEMBL31083673 0.77 NR4A2 (1.00) NR4A2CREBBPAXL
SCHEMBL27741387 0.76 NPSR1 (0.46) SPRHSD17B1ESR1ESR2
SCHEMBL31048762 0.76 NR4A2 (0.72) NR4A2CREBBPSPRCA12CA1
SCHEMBL4240354 0.76 NR4A2 (1.00) NR4A2CREBBP
SCHEMBL2434449 0.76 NR4A2 (0.72) NR4A2CREBBPSPRCA12CA1
SCHEMBL2082007 0.76 CA12 (0.44) NR4A2HSD17B1ESR1ESR2FGFR1

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 10 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
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
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 NR4A2 263/4885CREBBP 824/4885SPR 3442/4885
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR NR4A2 1079/4885CREBBP 1790/4885SPR 1325/4885

“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.