SCHEMBL498301

SCHEMBL498301

Cc1cc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)ccc1CNCc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.59
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARA Q07869 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PPARD Q03181 1/20 0.39
LIFR P42702 2/20 0.39
PDGFRA P16234 1/20 0.38
S1PR1 P21453 1/20 0.38
ROCK1 Q13464 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL498490 0.93 NR1H4 (0.62) NR1H4PPARAMRGPRX4LIFR
SCHEMBL498759 0.88 NR1H4 (0.57) NR1H4PPARAMRGPRX4LIFR
SCHEMBL3168962 0.87 NR1H4 (0.50) NR1H4PPARAMRGPRX4PPARDPDGFRA
SCHEMBL2770618 0.86 NR1H4 (0.58) NR1H4SMN1; SMN2NPSR1PPARAMRGPRX4
SCHEMBL3164099 0.86 NR1H4 (0.63) NR1H4PPARAMRGPRX4PPARD
Methane SCHEMBL3150748 0.85 NR1H4 (0.62) NR1H4PPARAMRGPRX4PPARD
SCHEMBL2771623 0.85 NR1H4 (0.46) NR1H4SMN1; SMN2NPSR1PPARAMRGPRX4
SCHEMBL498302 0.84 NR1H4 (0.60) NR1H4MRGPRX4LIFR
SCHEMBL2770719 0.84 SMN1; SMN2 (0.41) NR1H4SMN1; SMN2NPSR1PPARAMRGPRX4
SCHEMBL498129 0.84 NR1H4 (0.68) NR1H4MRGPRX4

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 1/4885SMN1; SMN2 4859/4885NPSR1 744/4885

“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.