SCHEMBL2770414

SCHEMBL2770414

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1-c1ccc(C(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.57
NR4A2 P43354 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2770807 0.89 NR1H4 (0.58) NR1H4MRGPRX4
SCHEMBL2771135 0.89 NR1H4 (0.57) NR1H4NR4A2ALDH1A1KDM4ENPC1
SCHEMBL2770415 0.89 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL2770495 0.86 NR1H4 (0.67) NR1H4MRGPRX4
SCHEMBL2773254 0.85 NR1H4 (0.52) NR1H4
SCHEMBL3165038 0.85 NR1H4 (0.60) NR1H4NR4A2HPGDMRGPRX4
SCHEMBL2773539 0.85 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL2771697 0.85 NR1H4 (0.63) NR1H4MRGPRX4
SCHEMBL2772857 0.85 NR1H4 (0.55) NR1H4MRGPRX4KDM4ENPC1POLB
SCHEMBL2770454 0.84 NR1H4 (0.59) NR1H4MRGPRX4

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 1/4885NR4A2 263/4885HPGD 1061/4885

“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.