SCHEMBL14887499

SCHEMBL14887499

Cc1ccc(F)c(F)c1C(=O)Nc1ccc(Oc2ncc(F)cc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.44
▸ CDK8 P49336 2/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ TLR8 Q9NR97 7/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TLR7 Q9NYK1 3/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 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
SCHEMBL16017362 0.94 CDK8 (0.43) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL16019856 0.92 CDK8 (0.43) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL16017365 0.92 S1PR3 (0.44) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL14887511 0.92 S1PR3 (0.47) S1PR3CDK8TLR8SMN1; SMN2KMT2A
SCHEMBL14887512 0.88 TLR8 (0.49) S1PR3CDK8TLR8TLR7
SCHEMBL14887507 0.87 S1PR3 (0.45) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL16017353 0.87 S1PR3 (0.44) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL16017369 0.86 SMN1; SMN2 (0.47) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL16017384 0.86 CDK8 (0.43) S1PR3CDK8SCN9ATLR8SMN1; SMN2
SCHEMBL14887503 0.86 S1PR3 (0.48) S1PR3CDK8TLR8SMN1; SMN2KMT2A

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 2 patents. 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
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO 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 2678/4885SCN9A 235/4885

“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.

Send feedback