SCHEMBL13015502

SCHEMBL13015502

CN(C(=O)OC(C)(C)C)c1cscc1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PAX8 Q06710 1/20 0.35
CYP17A1 P05093 2/20 0.35
PSMB8 P28062 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
ATR Q13535 1/20 0.33
LCK P06239 2/20 0.33
ABL1 P00519 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL1066439 0.81 METAP1 (0.45) METAP1CA1CA2CYP17A1PSMB8
SCHEMBL23960291 0.77 ATR (0.43) METAP1CA1CA2CYP17A1PSMB8
SCHEMBL13015505 0.75 ATR (0.34) PAX8LMNAATR
SCHEMBL3039310 0.75 MAPT (0.49) METAP1CA1CA2CYP17A1PSMB8
SCHEMBL13015504 0.75 PAX8 (0.34) PAX8
SCHEMBL22774998 0.74 CA1 (0.42) METAP1CA1CA2CYP17A1PSMB8
SCHEMBL1483110 0.74 CA1 (0.42) METAP1CA1CA2CYP17A1PSMB8
SCHEMBL5029628 0.73 PTPN1 (0.56) METAP1CA1CA2CYP17A1PSMB8
SCHEMBL15203434 0.72 METAP1 (0.33) METAP1PAX8CYP17A1PSMB8BRD9
SCHEMBL9209481 0.72 ATR (0.50) METAP1CA1CA2CYP17A1PSMB8

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-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 METAP1 1961/4885CA1 2882/4885CA2 1982/4885

“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.