SCHEMBL13633494

SCHEMBL13633494

CC(C)(C)OC(=O)NC(CN=[N+]=[N-])CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSK P43235 10/20 0.36
CTSS P25774 6/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 1/20 0.33

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
SCHEMBL17294123 1.00 CASP1 (0.41) CASP1CA1CA2CA7ATM
SCHEMBL25658173 0.90 CA1 (0.42) CA1CA2CA7ATMCYP2D6
SCHEMBL15071354 0.89 CA1 (0.38) CASP1CA1CA2CA7ATM
SCHEMBL31295342 0.89 CYP2D6 (0.47) CASP1CA1CA2CA7ATM
SCHEMBL15074960 0.89 CYP2D6 (0.47) CASP1CA1CA2CA7ATM
SCHEMBL13633534 0.87 CYP2D6 (0.40) CASP1CA1CA2CA7ATM
SCHEMBL29778323 0.87 CYP2D6 (0.40) CASP1CA1CA2CA7ATM
SCHEMBL28969072 0.86 ATM (0.36) CA1CA2CA7ATMCTSK
SCHEMBL28969069 0.86 ATM (0.36) CA1CA2CA7ATMCTSK
SCHEMBL13674044 0.85 CTSK (0.40) CA1CA2CA7ATMCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 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-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 CASP1 2814/4885CA1 4431/4885CA2 2121/4885

“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.