SCHEMBL498148

SCHEMBL498148

COC(=O)c1cn(C(C)C)c2cc(-c3ccc(O)cc3C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.40
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
NR4A2 P43354 6/20 0.37
MAPT P10636 2/20 0.37
PIM1 P11309 1/20 0.37
IRAK1 P51617 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
PIM3 Q86V86 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2772955 0.86 NR4A2 (0.47) ESR2CA12CA1CA2CA9
SCHEMBL497991 0.85 NR4A2 (0.51) HSD17B1ESR2ESR1CA12CA1
SCHEMBL2084199 0.80 CNR1 (0.47) CA12CA1CA2CA9NR4A2
SCHEMBL16456857 0.80 LMNA (0.45) HSD17B1ESR2ESR1NR4A2MAPT
SCHEMBL2083334 0.79 LMNA (0.40) HSD17B1ESR2ESR1NR4A2MAPT
SCHEMBL2083612 0.78 ROCK1 (0.43) HSD17B1ESR2ESR1NR4A2MAPT
SCHEMBL498025 0.78 HSD17B1 (0.40) HSD17B1ESR2ESR1MAPTALDH1A1
SCHEMBL2082968 0.78 MAPT (0.44) HSD17B1ESR2ESR1MAPTALDH1A1
SCHEMBL2770758 0.75 HSD17B1 (0.56) HSD17B1ESR2ESR1CA12CA1
SCHEMBL498716 0.74 PRPS1 (0.45) CA12CA1CA2CA9NR4A2

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
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP 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-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR 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
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP 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 (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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR HSD17B1 840/4885ESR2 342/4885ESR1 896/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 HSD17B1 119/4885ESR2 467/4885ESR1 2766/4885

“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.