SCHEMBL2770409

SCHEMBL2770409

CCCCOc1ccc(CNCc2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.49
PDGFRA P16234 1/20 0.34
S1PR1 P21453 1/20 0.34
ROCK1 Q13464 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PPARD Q03181 5/20 0.34
PPARA Q07869 3/20 0.34
MAOB P27338 1/20 0.33
PPARG P37231 3/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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 0.95 NR1H4 (0.49) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2773673 0.94 NR1H4 (0.47) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2771328 0.88 NR1H4 (0.50) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2771663 0.87 NR1H4 (0.53) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2770437 0.87 NR1H4 (0.53) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2770618 0.86 NR1H4 (0.58) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2771518 0.86 NR1H4 (0.50) NR1H4
SCHEMBL2770963 0.86 NR1H4 (0.49) NR1H4PDGFRAS1PR1ROCK1S1PR5
SCHEMBL2771176 0.86 NR1H4 (0.61) NR1H4PPARA
SCHEMBL2773675 0.84 NR1H4 (0.48) NR1H4PPARDPPARAPPARG

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 1/4885PDGFRA 1400/4885S1PR1 518/4885

“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.