SCHEMBL1096100

SCHEMBL1096100

CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1CBr

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 19/20 0.58
HSD17B13 Q7Z5P4 1/20 0.42
S1PR1 P21453 1/20 0.38

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
SCHEMBL27732163 0.91 NR1H4 (0.56) NR1H4HSD17B13S1PR1
SCHEMBL1097119 0.88 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL21340364 0.87 NR1H4 (0.57) NR1H4HSD17B13S1PR1
SCHEMBL20094463 0.78 NR1H4 (0.51) NR1H4HSD17B13S1PR1
SCHEMBL4610396 0.78 NR1H4 (0.56) NR1H4HSD17B13
SCHEMBL29433179 0.77 NR1H4 (0.60) NR1H4HSD17B13
SCHEMBL1096074 0.77 NR1H4 (0.60) NR1H4HSD17B13
SCHEMBL22790384 0.76 NR1H4 (0.45) NR1H4HSD17B13
SCHEMBL1179604 0.75 NR1H4 (0.53) NR1H4HSD17B13
SCHEMBL29143491 0.75 NR1H4 (0.85) NR1H4HSD17B13

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
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 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-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR1H4 1/4885HSD17B13 157/4885S1PR1 482/4885

“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.