SCHEMBL2262183

SCHEMBL2262183

CC(NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.47
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
TRPV1 Q8NER1 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KLKB1 P03952 1/20 0.41
CTSL P07711 1/20 0.41
TGFBR1 P36897 1/20 0.41
F10 P00742 3/20 0.40
CNR1 P21554 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL2257513 0.88 CARM1 (0.59) CARM1RXRANR1H2NR1H3KLKB1
SCHEMBL2256100 0.88 CARM1 (0.59) CARM1RXRANR1H2NR1H3KLKB1
SCHEMBL12361701 0.86 CARM1 (0.47) CARM1KLKB1CTSL
SCHEMBL15706917 0.86 CARM1 (0.46) CARM1RXRANR1H2NR1H3TRPV1
SCHEMBL2263024 0.84 CNR1 (0.53) CARM1RXRANR1H2NR1H3TRPV1
SCHEMBL2258493 0.84 CARM1 (0.49) CARM1KLKB1CTSLF10
SCHEMBL2259952 0.83 CARM1 (0.52) CARM1TRPV1CNR1
SCHEMBL2259763 0.83 CARM1 (0.48) CARM1KLKB1CTSL
SCHEMBL2256314 0.82 CTSL (0.47) CARM1KLKB1CTSLF10F2
SCHEMBL2364174 0.81 NPC1 (0.51) CARM1TRPV1KLKB1

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 3 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-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 CARM1 2887/4885RXRA 8/4885NR1H2 2/4885

“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.