SCHEMBL498382

SCHEMBL498382

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 19/20 0.60
VDR P11473 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
LIFR P42702 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
SCHEMBL3168721 0.93 NR1H4 (0.61) NR1H4VDRMRGPRX4LIFR
SCHEMBL498093 0.92 NR1H4 (0.53) NR1H4VDR
SCHEMBL3150714 0.91 NR1H4 (0.51) NR1H4
SCHEMBL3164375 0.90 NR1H4 (0.62) NR1H4VDRLIFR
SCHEMBL3165073 0.87 NR1H4 (0.51) NR1H4MRGPRX4
SCHEMBL498249 0.87 NR1H4 (0.52) NR1H4MRGPRX4
SCHEMBL2771606 0.86 NR1H4 (0.57) NR1H4VDRMRGPRX4LIFR
SCHEMBL3168943 0.86 NR1H4 (0.56) NR1H4VDRMRGPRX4
SCHEMBL3164128 0.86 NR1H4 (0.64) NR1H4VDRMRGPRX4LIFR
SCHEMBL498129 0.83 NR1H4 (0.68) NR1H4VDRMRGPRX4

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 1/4885VDR 141/4885MRGPRX4 268/4885

“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.