SCHEMBL2257333

SCHEMBL2257333

Cc1ccc(CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.46
▸ TRPV1 Q8NER1 6/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ KLKB1 P03952 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL2258903 0.92 TRPV1 (0.47) P2RX7TRPV1TGFBR1POLBTSHR
SCHEMBL2259409 0.91 TGFBR1 (0.41) P2RX7TRPV1TGFBR1TSHR
SCHEMBL2262135 0.88 HCRTR1 (0.49) P2RX7TRPV1TGFBR1POLBTSHR
SCHEMBL2261025 0.88 TRPV1 (0.47) P2RX7TRPV1TGFBR1POLBTSHR
SCHEMBL2257644 0.87 POLB (0.45) P2RX7TRPV1TGFBR1POLBTSHR
SCHEMBL2260645 0.86 TRPV1 (0.49) P2RX7TRPV1TSHR
SCHEMBL2260391 0.86 TGFBR1 (0.43) P2RX7TRPV1TGFBR1TSHR
SCHEMBL2258107 0.86 P2RX7 (0.58) P2RX7TRPV1
SCHEMBL2256831 0.85 TRPV1 (0.52) P2RX7TRPV1TGFBR1
SCHEMBL2255449 0.85 NPSR1 (0.51) P2RX7TRPV1

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 1100/4885TGFBR1 481/4885

“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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