SCHEMBL5230149

SCHEMBL5230149

CCOC(=O)c1cn(-c2cccc(OC(F)(F)F)c2)nc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.37
CACNA2D1 P54289 1/20 0.37
ELANE P08246 2/20 0.37
NOTUM Q6P988 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RXRA P19793 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
DGAT1 O75907 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 2/20 0.35
SLC5A1 P13866 1/20 0.35
SCN9A Q15858 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL5230145 1.00 NPC1 (0.39) NPC1ALDH1A1POLBSMN1; SMN2OPRM1
SCHEMBL5230768 0.91 CA12 (0.39) NPC1ALDH1A1POLBSMN1; SMN2PTGDR2
SCHEMBL5234894 0.91 ALDH1A1 (0.41) NPC1ALDH1A1POLBSMN1; SMN2ELANE
SCHEMBL5230776 0.91 CA12 (0.39) NPC1ALDH1A1POLBSMN1; SMN2PTGDR2
SCHEMBL5234903 0.91 ALDH1A1 (0.41) NPC1ALDH1A1POLBSMN1; SMN2ELANE
SCHEMBL5229752 0.90 NPSR1 (0.40) NPC1ALDH1A1POLBSMN1; SMN2ELANE
SCHEMBL5229742 0.90 NPSR1 (0.40) NPC1ALDH1A1POLBSMN1; SMN2ELANE
SCHEMBL5232493 0.90 NOTUM (0.41) OPRM1CACNA2D1NOTUMRXRAGRIN1
SCHEMBL5232501 0.90 NOTUM (0.41) OPRM1CACNA2D1NOTUMRXRAGRIN1
SCHEMBL5237855 0.89 NPC1 (0.41) NPC1ALDH1A1POLBSMN1; SMN2ELANE

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
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L NPC1 352/4885ALDH1A1 1138/4885POLB 1462/4885

“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.