SCHEMBL498383

SCHEMBL498383

Cc1cc(OCc2c(C(C)C)nnn2-c2ccccc2OC(F)(F)F)ccc1CNCc1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
PPARA Q07869 2/20 0.42
MRGPRX4 Q96LA9 12/20 0.40
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MAOB P27338 1/20 0.36
PRKD3 O94806 1/20 0.35
S1PR1 P21453 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL3168857 0.90 NR1H4 (0.44) NR1H4PPARAMRGPRX4MAOBPRKD3
SCHEMBL2770974 0.88 NR1H4 (0.43) NR1H4PPARAMRGPRX4PRKAG1PRKAA2
SCHEMBL498384 0.86 NR1H4 (0.44) NR1H4PPARAMRGPRX4PRKAG1PRKAA2
SCHEMBL498490 0.83 NR1H4 (0.62) NR1H4PPARAMRGPRX4
SCHEMBL3159725 0.83 NR1H4 (0.41) NR1H4PPARAMRGPRX4MAOBPRKD3
SCHEMBL3159296 0.82 NR1H4 (0.61) NR1H4
SCHEMBL3159291 0.82 NR1H4 (0.61) NR1H4
SCHEMBL498759 0.82 NR1H4 (0.57) NR1H4PPARAMRGPRX4MAOB
SCHEMBL3149710 0.81 NR1H4 (0.46) NR1H4PPARA
SCHEMBL2770116 0.80 KDM4E (0.40) NR1H4PPARAMAOB

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 6 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 claimed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP claimed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US claimed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP claimed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO claimed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP 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 1/4885PPARA 85/4885MRGPRX4 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.