SCHEMBL2260910

SCHEMBL2260910

CC(C)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.51
F2 P00734 4/20 0.51
CARM1 Q86X55 3/20 0.51
KLKB1 P03952 5/20 0.48
TRPV1 Q8NER1 2/20 0.45
ORAI1 Q96D31 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2256640 0.91 F10 (0.49) F10F2CARM1KLKB1TRPV1
SCHEMBL2261823 0.87 F10 (0.51) F10F2CARM1KLKB1ORAI1
SCHEMBL2260149 0.87 F10 (0.50) F10F2CARM1KLKB1ORAI1
SCHEMBL2256205 0.87 F10 (0.54) F10F2CARM1KLKB1POLB
SCHEMBL2256471 0.86 KLKB1 (0.51) F10F2CARM1KLKB1ORAI1
SCHEMBL2256860 0.85 CARM1 (0.58) CARM1TRPV1
SCHEMBL14177269 0.84 F10 (0.50) F10F2CARM1KLKB1ORAI1
SCHEMBL2263024 0.82 CNR1 (0.53) CARM1TRPV1
SCHEMBL2259105 0.82 F10 (0.46) F10F2CARM1KLKB1
SCHEMBL2257513 0.82 CARM1 (0.59) CARM1KLKB1

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
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

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 F10 143/4885F2 290/4885CARM1 2887/4885

“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.