SCHEMBL2770974

SCHEMBL2770974

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1CNCc1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
PPARA Q07869 2/20 0.42
MRGPRX4 Q96LA9 12/20 0.40
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MAOB P27338 1/20 0.36
PRKD3 O94806 1/20 0.35
S1PR1 P21453 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
S1PR5 Q9H228 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2770116 0.93 KDM4E (0.40) NR1H4PPARAMAOBSMN1; SMN2
SCHEMBL2772321 0.90 NR1H4 (0.44) NR1H4PPARAMRGPRX4MAOBPRKD3
SCHEMBL2771509 0.88 NR1H4 (0.40) NR1H4MRGPRX4PRKAG1PRKAA2PRKAB1
SCHEMBL2770353 0.88 NR1H4 (0.43) NR1H4PPARAMRGPRX4MAOBPRKD3
SCHEMBL498383 0.88 NR1H4 (0.43) NR1H4PPARAMRGPRX4PRKAG1PRKAA2
SCHEMBL2770975 0.86 NR1H4 (0.44) NR1H4PPARAMRGPRX4PRKAG1PRKAA2
SCHEMBL2769706 0.85 NR1H4 (0.50) NR1H4PPARAMRGPRX4MAOBTP53
SCHEMBL2771176 0.83 NR1H4 (0.61) NR1H4PPARAMRGPRX4TP53PKM
SCHEMBL2772424 0.83 NR1H4 (0.40) NR1H4PPARAMRGPRX4MAOBPRKD3
SCHEMBL2772915 0.82 NR1H4 (0.62) NR1H4

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
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 1/4885PPARA 38/4885MRGPRX4 247/4885

“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.