SCHEMBL2771328

SCHEMBL2771328

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CNCc1ccc(C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.50
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
MCL1 Q07820 1/20 0.39
MCHR1 Q99705 2/20 0.39
MAPK14 Q16539 1/20 0.38
PPARA Q07869 1/20 0.38
ALKBH1 Q13686 1/20 0.37
PDGFRA P16234 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAOB P27338 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHB3 P54753 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL2771506 0.92 NR1H4 (0.49) NR1H4S1PR1S1PR5MCHR1PPARA
SCHEMBL2770437 0.90 NR1H4 (0.53) NR1H4S1PR1S1PR5MCHR1PPARA
SCHEMBL2771176 0.88 NR1H4 (0.61) NR1H4PPARAMRGPRX4
SCHEMBL2770408 0.88 NR1H4 (0.53) NR1H4S1PR1S1PR5PPARAPDGFRA
SCHEMBL2770618 0.88 NR1H4 (0.58) NR1H4S1PR1S1PR5PPARAPDGFRA
SCHEMBL2770409 0.88 NR1H4 (0.49) NR1H4S1PR1S1PR5PPARAPDGFRA
SCHEMBL2770963 0.86 NR1H4 (0.49) NR1H4S1PR1S1PR5MCHR1PPARA
SCHEMBL2771344 0.86 NR1H4 (0.51) NR1H4MCL1MCHR1MAPK14ALKBH1
SCHEMBL2770675 0.84 NR1H4 (0.52) NR1H4S1PR1S1PR5PPARAPDGFRA
SCHEMBL2773434 0.84 NR1H4 (0.54) NR1H4S1PR1S1PR5MCL1PPARA

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-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US claimed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP claimed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US claimed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP claimed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO claimed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885S1PR1 518/4885S1PR5 498/4885

“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.