SCHEMBL498056

SCHEMBL498056

COC(=O)c1ccc(NCc2ccc(OCc3c(C(C)C)nnn3-c3c(Cl)cccc3Cl)cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.53
PPARD Q03181 3/20 0.40
PPARA Q07869 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MAOB P27338 2/20 0.36
ALOX5 P09917 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL3164099 0.88 NR1H4 (0.63) NR1H4PPARDPPARA
SCHEMBL498134 0.87 NR1H4 (0.53) NR1H4PPARDPPARACA1CA2
Methane SCHEMBL3150748 0.87 NR1H4 (0.62) NR1H4PPARDPPARA
SCHEMBL497893 0.85 NR1H4 (0.60) NR1H4
SCHEMBL4194100 0.85 NR1H4 (0.51) NR1H4PPARDMAOBHDAC8
SCHEMBL497944 0.83 NR1H4 (0.55) NR1H4
SCHEMBL498301 0.83 NR1H4 (0.59) NR1H4PPARDPPARA
SCHEMBL498093 0.81 NR1H4 (0.53) NR1H4
SCHEMBL498092 0.81 NR1H4 (0.53) NR1H4
SCHEMBL498490 0.81 NR1H4 (0.62) NR1H4PPARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 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
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR 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 (1 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885PPARD 80/4885PPARA 85/4885

“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.