SCHEMBL5635558

SCHEMBL5635558

CNC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.46
CTSK P43235 11/20 0.46
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 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
SCHEMBL8270413 0.87 CTSS (0.49) CTSSCTSKCTSLCTSBCA1
SCHEMBL7433111 0.86 CTSK (0.49) CTSSCTSKCTSLCTSBCA1
SCHEMBL5074699 0.84 CTSS (0.50) CTSSCTSKCTSLCTSB
SCHEMBL5078711 0.84 CTSS (0.54) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL31023450 0.84 CTSS (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL1515640 0.83 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL355405 0.83 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL18614278 0.83 CTSS (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL2726957 0.82 CTSK (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL21284248 0.82 CTSK (0.43) CTSSCTSKCTSLCTSBCA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 CTSS 4247/4885CTSK 3334/4885CTSL 4411/4885

“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.