SCHEMBL16019814

SCHEMBL16019814

Cc1cc(F)cc(F)c1C(=O)Nc1ccc(Oc2ncccc2C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.46
▸ P2RY1 P47900 2/20 0.46
▸ TLR8 Q9NR97 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
SCHEMBL14887509 0.93 S1PR3 (0.52) S1PR3KMT2ATRPV1P2RY1TLR8
SCHEMBL16017358 0.92 LMNA (0.47) S1PR3KMT2ATRPV1P2RY1
SCHEMBL16017348 0.89 TRPV1 (0.47) S1PR3KMT2ATRPV1P2RY1
SCHEMBL14887510 0.88 TLR8 (0.48) KMT2ATRPV1TLR8
SCHEMBL14887507 0.87 S1PR3 (0.45) S1PR3KMT2ATLR8
SCHEMBL14887625 0.86 S1PR3 (0.44) S1PR3KMT2ATLR8
SCHEMBL16019807 0.85 KMT2A (0.46) S1PR3KMT2ATRPV1P2RY1
SCHEMBL16017370 0.85 KMT2A (0.46) S1PR3KMT2ATRPV1
SCHEMBL14887502 0.85 S1PR3 (0.43) S1PR3TLR8
SCHEMBL16017360 0.85 KMT2A (0.47) KMT2ATRPV1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 S1PR3 728/4885KMT2A 4706/4885TRPV1 50/4885

“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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