SCHEMBL16017353

SCHEMBL16017353

Cc1cc(F)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.44
▸ CDK8 P49336 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TLR8 Q9NR97 7/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TLR7 Q9NYK1 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 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
SCHEMBL16017369 0.95 SMN1; SMN2 (0.47) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL16017371 0.93 CDK8 (0.44) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL14887503 0.93 S1PR3 (0.48) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL14887507 0.90 S1PR3 (0.45) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL14887616 0.90 S1PR3 (0.46) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL14887505 0.89 TLR8 (0.48) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL16017343 0.89 TLR8 (0.53) S1PR3CDK8SMN1; SMN2TLR8LMNA
SCHEMBL16017388 0.88 SMN1; SMN2 (0.47) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL16017365 0.87 S1PR3 (0.44) S1PR3CDK8SMN1; SMN2TLR8KMT2A
SCHEMBL14887499 0.87 S1PR3 (0.44) S1PR3CDK8SMN1; SMN2TLR8KMT2A

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 728/4885CDK8 2678/4885SMN1; SMN2 854/4885

“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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