SCHEMBL2811507

SCHEMBL2811507

COC(=O)c1ccc2cccc(Nc3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.72
LIFR P42702 3/20 0.58
NR1I2 O75469 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
PPARD Q03181 1/20 0.55

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
SCHEMBL2810006 0.93 NR1H4 (0.76) NR1H4LIFRNR1I2CYP1A2CYP3A4
SCHEMBL3635982 0.88 NR1H4 (0.54) NR1H4LIFRNR1I2CYP1A2CYP3A4
SCHEMBL4683956 0.88 NR1H4 (0.91) NR1H4LIFRPPARD
SCHEMBL28530824 0.85 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL2114524 0.84 NR1H4 (0.85) NR1H4LIFRNR1I2CYP1A2CYP3A4
SCHEMBL28529145 0.81 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL2113328 0.81 NR1H4 (0.84) NR1H4LIFRNR1I2CYP1A2CYP3A4
SCHEMBL21624441 0.81 NR1H4 (1.00) NR1H4LIFR
SCHEMBL21624442 0.81 NR1H4 (1.00) NR1H4LIFRNR1I2CYP1A2CYP3A4
SCHEMBL3635363 0.81 NR1H4 (0.59) NR1H4LIFR

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-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885LIFR 2293/4885NR1I2 12/4885

“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.