SCHEMBL5635103

SCHEMBL5635103

CO[C@@H](C(NC(=O)O)C(=O)NCC(F)(F)F)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL15795308 0.81 CTSS (0.42) CTSSCTSK
SCHEMBL14141779 0.72 CA12 (0.42) CTSSCTSKKDM4EGAA
SCHEMBL15819962 0.72 CA12 (0.42) CTSSCTSKKDM4EGAA
SCHEMBL1863280 0.71 CPB2 (0.32) CTSSCTSK
SCHEMBL14141780 0.71 CTSS (0.41) CTSSCTSKKDM4EGAA
SCHEMBL14141746 0.71 CTSS (0.41) CTSSCTSKKDM4EGAA
SCHEMBL14141747 0.71 CTSS (0.41) CTSSCTSKKDM4EGAA
SCHEMBL5636045 0.69 CTSL (0.43) CTSSCTSKKDM4EGAA
SCHEMBL5077833 0.69 CYP2D6 (0.38) CTSSCTSKKDM4EGAA
SCHEMBL5635654 0.69 CTSL (0.43) CTSSCTSKKDM4EGAA

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-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US 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 3334/4885KDM4E 544/4885

“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.