SCHEMBL3309119

SCHEMBL3309119

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)Nn1cccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.43
CTSK P43235 4/20 0.43
SIRT5 Q9NXA8 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
ACE P12821 1/20 0.39
MMP13 P45452 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
PPARD Q03181 2/20 0.38

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
SCHEMBL8135865 0.92 CTSS (0.41) CTSSCTSKCTSLCTSBPPARA
SCHEMBL5863065 0.87 CTSK (0.45) CTSSCTSKCTSLCTSBPPARA
SCHEMBL1854385 0.78 KDM4E (0.37) CTSL
SCHEMBL13505874 0.74 CTSK (0.44) CTSSCTSKCTSLCTSBPPARA
SCHEMBL27200289 0.74 HDAC4 (0.60) CTSSCTSKSIRT5CTSLCTSB
SCHEMBL27200285 0.74 HDAC4 (0.60) CTSSCTSKSIRT5CTSLCTSB
SCHEMBL15771853 0.73 PPARA (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL15771851 0.73 PPARA (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL3314258 0.73 NPFFR1 (0.39)
SCHEMBL15772496 0.73 CTSS (0.44) CTSSCTSKCTSLCTSBPPARA

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-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
EP-2134716-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-23 EP disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 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-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, LCK, MAP3K15 CTSS 1682/4885CTSK 652/4885SIRT5 1288/4885

“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.