SCHEMBL2258107

SCHEMBL2258107

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1ccc(F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.58
▸ TRPV1 Q8NER1 2/20 0.53
▸ THRB P10828 1/20 0.49

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
SCHEMBL2257230 0.94 TRPV1 (0.52) P2RX7TRPV1THRB
SCHEMBL2259494 0.92 TRPV1 (0.53) P2RX7TRPV1
SCHEMBL2260645 0.92 TRPV1 (0.49) P2RX7TRPV1
SCHEMBL2256831 0.89 TRPV1 (0.52) P2RX7TRPV1
SCHEMBL2261075 0.89 TRPV1 (0.46) P2RX7TRPV1THRB
SCHEMBL2257432 0.88 TRPV1 (0.48) P2RX7TRPV1
SCHEMBL2257576 0.88 TRPV1 (0.46) P2RX7TRPV1
SCHEMBL2258902 0.88 P2RX7 (0.44) P2RX7TRPV1
SCHEMBL2257715 0.87 TRPV1 (0.51) P2RX7TRPV1
SCHEMBL2255449 0.86 NPSR1 (0.51) P2RX7TRPV1THRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 P2RX7 797/4885TRPV1 1100/4885THRB 462/4885

“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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