SCHEMBL2772976

SCHEMBL2772976

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)Sc1cccc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.63
MRGPRX4 Q96LA9 3/20 0.42
LIFR P42702 2/20 0.38
NPC1 O15118 1/20 0.37
NR4A2 P43354 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2772758 0.93 NR1H4 (0.60) NR1H4MRGPRX4LIFR
SCHEMBL2772298 0.92 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL2773047 0.90 NR1H4 (0.64) NR1H4MRGPRX4LIFR
SCHEMBL4036782 0.89 NR1H4 (0.61) NR1H4MRGPRX4LIFRNPC1NR4A2
SCHEMBL497776 0.87 NR1H4 (0.63) NR1H4MRGPRX4LIFR
SCHEMBL2771248 0.86 NR1H4 (0.66) NR1H4MRGPRX4LIFRNPC1NR4A2
SCHEMBL2771757 0.85 NR1H4 (0.65) NR1H4MRGPRX4LIFRNPC1NR4A2
SCHEMBL2771158 0.85 NR1H4 (0.61) NR1H4MRGPRX4LIFRNPC1NR4A2
SCHEMBL2770317 0.84 NR1H4 (0.68) NR1H4MRGPRX4LIFRNPC1NR4A2
SCHEMBL2770495 0.84 NR1H4 (0.67) NR1H4MRGPRX4LIFR

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 7 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
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
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
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US 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 1/4885MRGPRX4 247/4885LIFR 3317/4885

“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.