SCHEMBL498248

SCHEMBL498248

COC(=O)c1cccc(SC(C)(C)c2ccc(OCc3c(C(C)C)nnn3-c3c(Cl)cccc3Cl)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.52
MRGPRX4 Q96LA9 2/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.31

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
SCHEMBL498092 0.93 NR1H4 (0.53) NR1H4KMT2A
SCHEMBL3168706 0.93 NR1H4 (0.61) NR1H4MRGPRX4
SCHEMBL498381 0.87 NR1H4 (0.60) NR1H4MRGPRX4
SCHEMBL3165066 0.87 NR1H4 (0.51) NR1H4MRGPRX4KMT2A
SCHEMBL2770907 0.87 NR1H4 (0.52) NR1H4MRGPRX4NR1H2NR1H3CYSLTR1
SCHEMBL497895 0.85 NR1H4 (0.54) NR1H4MRGPRX4MAPTRECQLKMT2A
SCHEMBL3150710 0.84 NR1H4 (0.53) NR1H4MRGPRX4KMT2A
SCHEMBL3164116 0.82 NR1H4 (0.63) NR1H4MRGPRX4
SCHEMBL498149 0.81 NR1H4 (0.56) NR1H4MRGPRX4MAPTKMT2A
SCHEMBL497893 0.80 NR1H4 (0.60) NR1H4

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 1/4885MRGPRX4 268/4885MAPT 4429/4885

“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.