SCHEMBL498093

SCHEMBL498093

CCS(C)(c1ccc(C(=O)OC)cc1)c1ccc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)cc1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 17/20 0.53
NR1I2 O75469 1/20 0.36
VDR P11473 2/20 0.33
ADAMTS4 O75173 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL498249 0.93 NR1H4 (0.52) NR1H4ADAMTS4MMP13
SCHEMBL498382 0.92 NR1H4 (0.60) NR1H4VDR
SCHEMBL3150714 0.88 NR1H4 (0.51) NR1H4
SCHEMBL3168721 0.87 NR1H4 (0.61) NR1H4VDR
SCHEMBL3165073 0.84 NR1H4 (0.51) NR1H4
SCHEMBL497893 0.84 NR1H4 (0.60) NR1H4VDR
SCHEMBL3164375 0.82 NR1H4 (0.62) NR1H4VDR
SCHEMBL497944 0.81 NR1H4 (0.55) NR1H4
SCHEMBL498056 0.81 NR1H4 (0.53) NR1H4
SCHEMBL498092 0.81 NR1H4 (0.53) NR1H4VDR

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 3 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

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 1/4885NR1I2 42/4885VDR 141/4885

“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.