SCHEMBL4644244

SCHEMBL4644244

CC(C)(C)OC(=O)NC(CCCNc1ccnc(Cl)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.47
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ITGAV P06756 1/20 0.41
ITGB6 P18564 1/20 0.41
CTSK P43235 4/20 0.41
PPARD Q03181 2/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
PTPN1 P18031 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ACE P12821 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
SCHEMBL14907973 0.81 STK17B (0.65) STK17BSTK17AAAK1
SCHEMBL7417672 0.80 ALDH1A1 (0.48) P2RY2PPARAPPARGITGB3ITGA2B
SCHEMBL17169968 0.80 STK17B (0.53) P2RY2STK17BSTK17APPARAPPARG
SCHEMBL17169914 0.80 STK17B (0.53) P2RY2STK17BSTK17APPARAPPARG
SCHEMBL3909008 0.78 STK17B (0.55) STK17BSTK17AALDH1A1AAK1
SCHEMBL10129663 0.76 PPARA (0.44) PPARAPPARGITGB3ITGA2BCTSK
SCHEMBL4648083 0.74 ATR (0.52) STK17BSTK17AAAK1
SCHEMBL6745774 0.73 CTSK (0.56) PPARAPPARGITGB3ITGA2BALDH1A1
SCHEMBL14150791 0.73 CTSK (0.56) PPARAPPARGITGB3ITGA2BALDH1A1
SCHEMBL6837916 0.73 CTSK (0.56) PPARAPPARGITGB3ITGA2BALDH1A1

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
EP-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
US-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 US disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 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-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 P2RY2 723/4885STK17B 217/4885STK17A 205/4885

“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.