SCHEMBL2770752

SCHEMBL2770752

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1-c1ccc2c(C(=O)O)csc2c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.39
LNPEP Q9UIQ6 1/20 0.34
PPARD Q03181 1/20 0.33
DHODH Q02127 1/20 0.33
PPARG P37231 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
SCHEMBL2770754 0.92 NR1H4 (0.34) NR1H4LNPEPPPARDPPARG
SCHEMBL2773102 0.88 NR1H4 (0.40) NR1H4DHODH
SCHEMBL3156107 0.88 NR1H4 (0.39) NR1H4PPARD
SCHEMBL2770076 0.87 NR1H4 (0.51) NR1H4
SCHEMBL2770877 0.86 NR1H4 (0.42) NR1H4LNPEPPPARDPPARG
SCHEMBL2773202 0.86 PPARD (0.36) NR1H4LNPEPPPARD
SCHEMBL2773377 0.83 NR1H4 (0.52) NR1H4
SCHEMBL3169391 0.83 NR1H4 (0.40) NR1H4
SCHEMBL2773750 0.82 NR1H4 (0.42) NR1H4LNPEPPPARD
SCHEMBL2770864 0.81 NR1H4 (0.39) NR1H4LNPEPPPARD

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 1/4885LNPEP 1808/4885PPARD 34/4885

“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.