SCHEMBL9959090

SCHEMBL9959090

O=C(O)c1ccc2nc(N3CCC(OCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 1.00
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL9959168 0.97 NR1H4 (0.94) NR1H4CYP3A4
SCHEMBL9958527 0.91 NR1H4 (0.83) NR1H4
SCHEMBL9952827 0.90 NR1H4 (1.00) NR1H4
SCHEMBL19122003 0.89 NR1H4 (0.80) NR1H4CYP3A4
SCHEMBL15294102 0.89 NR1H4 (0.80) NR1H4
SCHEMBL15294132 0.89 NR1H4 (0.80) NR1H4
SCHEMBL9959255 0.89 NR1H4 (0.86) NR1H4
SCHEMBL10085056 0.89 NR1H4 (0.79) NR1H4
SCHEMBL17128561 0.89 NR1H4 (0.82) NR1H4
SCHEMBL17128562 0.89 NR1H4 (0.82) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655368-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-30 — — EP claimed
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-03 — — US claimed
WO-2012087520-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 — — WO claimed
US-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS VIKING THERAPEUTICS, INC. 2022-01-20 — — US disclosed
EP-2655368-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-30 — — EP disclosed
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-03 — — US disclosed
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2013-10-03 — — US disclosed
WO-2012087520-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 — — WO disclosed
WO-2012087520-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2012-06-28 — — 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 (2 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-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS FABP1, SLC10A1, TSHR NR1H4 11/4885CYP3A4 1746/4885
US-20130261108-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885CYP3A4 397/4885

“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.

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