SCHEMBL16019807

SCHEMBL16019807

Cc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2ncccc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ S1PR3 Q99500 1/20 0.45
▸ TRPV1 Q8NER1 4/20 0.45
▸ P2RY1 P47900 2/20 0.43
▸ P2RY14 Q15391 1/20 0.43

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
SCHEMBL16017360 0.94 KMT2A (0.47) KMT2ATRPV1P2RY1P2RY14
SCHEMBL16017370 0.92 KMT2A (0.46) KMT2AS1PR3TRPV1
SCHEMBL14887513 0.92 KMT2A (0.49) KMT2AS1PR3TRPV1
SCHEMBL14887510 0.89 TLR8 (0.48) KMT2ATRPV1
SCHEMBL16017348 0.86 TRPV1 (0.47) KMT2AS1PR3TRPV1P2RY1
SCHEMBL14887492 0.85 JAK2 (0.53) KMT2A
SCHEMBL16017358 0.85 LMNA (0.47) KMT2AS1PR3TRPV1P2RY1
SCHEMBL14887499 0.85 S1PR3 (0.44) KMT2AS1PR3
SCHEMBL16019814 0.85 S1PR3 (0.48) KMT2AS1PR3TRPV1P2RY1
SCHEMBL16019856 0.85 CDK8 (0.43) KMT2AS1PR3

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 KMT2A 4706/4885S1PR3 728/4885TRPV1 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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