SCHEMBL2770911

SCHEMBL2770911

CCS(C)(c1cccc(C(=O)OC)c1)c1ccc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)cc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.52
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
EIF4H Q15056 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL2771162 0.93 NR1H4 (0.61) NR1H4MRGPRX4
SCHEMBL2771606 0.87 NR1H4 (0.57) NR1H4MRGPRX4
SCHEMBL498249 0.87 NR1H4 (0.52) NR1H4ADAMTS4MMP13PABPC1KMT2A
SCHEMBL2769946 0.87 NR1H4 (0.50) NR1H4KMT2AMRGPRX4
SCHEMBL2772145 0.84 NR1H4 (0.51) NR1H4
SCHEMBL498093 0.80 NR1H4 (0.53) NR1H4ADAMTS4MMP13
SCHEMBL2772298 0.80 NR1H4 (0.54) NR1H4NPBWR1MCHR1NR1H2NR1H3
SCHEMBL2770907 0.79 NR1H4 (0.52) NR1H4NPBWR1MCHR1NR1H2NR1H3
SCHEMBL3168721 0.79 NR1H4 (0.61) NR1H4MRGPRX4
SCHEMBL4032850 0.79 NR1H4 (0.52) NR1H4NPBWR1MCHR1NR1H2NR1H3

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-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US 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 1/4885NPBWR1 348/4885MCHR1 1417/4885

“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.