SCHEMBL5636045

SCHEMBL5636045

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.43
CTSS P25774 6/20 0.40
CTSK P43235 5/20 0.40
CTSB P07858 1/20 0.39
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
HTRA1 Q92743 6/20 0.31
CPB2 Q96IY4 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL5635654 1.00 CTSL (0.43) CTSLCTSSCTSKCTSBGRN
SCHEMBL5634729 0.84 CTSS (0.38) CTSSCTSKGRNSORT1
SCHEMBL15795581 0.83 CTSK (0.44) CTSLCTSSCTSKMME
SCHEMBL5074738 0.83 CTSS (0.42) CTSLCTSSCTSKKDM4EGAA
SCHEMBL14142063 0.83 CTSS (0.42) CTSLCTSSCTSKKDM4EGAA
SCHEMBL15820386 0.81 CTSS (0.40) CTSSCTSK
SCHEMBL14141779 0.80 CA12 (0.42) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL15819962 0.80 CA12 (0.42) CTSLCTSSCTSKCTSBKDM4E
SCHEMBL15826162 0.79 CTSS (0.39) CTSSCTSK
SCHEMBL1866494 0.77 CNR2 (0.41) CTSLCTSSCTSKCTSBGRN

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 CTSL 4411/4885CTSS 4247/4885CTSK 3334/4885

“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.