SCHEMBL16017362

SCHEMBL16017362

Cc1ccc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ S1PR3 Q99500 1/20 0.41
▸ BRAF P15056 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ RAF1 P04049 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
SCHEMBL16017365 0.94 S1PR3 (0.44) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL14887499 0.94 S1PR3 (0.44) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL16017384 0.92 CDK8 (0.43) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL14887512 0.88 TLR8 (0.49) CDK8S1PR3TLR8
SCHEMBL14887507 0.87 S1PR3 (0.45) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL16017353 0.87 S1PR3 (0.44) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL16017369 0.86 SMN1; SMN2 (0.47) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL16019856 0.86 CDK8 (0.43) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL14887511 0.85 S1PR3 (0.47) CDK8SMN1; SMN2KMT2AATMS1PR3
SCHEMBL14887503 0.85 S1PR3 (0.48) CDK8SMN1; SMN2KMT2AATMS1PR3

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 CDK8 2678/4885SMN1; SMN2 854/4885KMT2A 4706/4885

“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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