SCHEMBL2770907

SCHEMBL2770907

COC(=O)c1cccc(SC(C)(C)c2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.52
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GCGR P47871 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
SCHEMBL2771158 0.93 NR1H4 (0.61) NR1H4MRGPRX4
SCHEMBL2771604 0.87 NR1H4 (0.59) NR1H4MRGPRX4
SCHEMBL2769940 0.87 NR1H4 (0.50) NR1H4MRGPRX4SMN1; SMN2
SCHEMBL498248 0.87 NR1H4 (0.52) NR1H4NR1H2NR1H3MRGPRX4CYSLTR1
SCHEMBL2772298 0.86 NR1H4 (0.54) NR1H4NR1H2NR1H3MRGPRX4NPBWR1
SCHEMBL4032850 0.84 NR1H4 (0.52) NR1H4NR1H2NR1H3MRGPRX4NPBWR1
SCHEMBL2772140 0.84 NR1H4 (0.52) NR1H4NR1H2NR1H3MRGPRX4
SCHEMBL4042349 0.84 NR1H4 (0.52) NR1H4NR1H2NR1H3MRGPRX4NPBWR1
SCHEMBL3764857 0.81 NR1H4 (0.55) NR1H4MRGPRX4NPBWR1MCHR1SMN1; SMN2
SCHEMBL498092 0.80 NR1H4 (0.53) NR1H4SMN1; SMN2

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-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
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885NR1H2 6/4885NR1H3 7/4885

“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.