SCHEMBL376576

SCHEMBL376576

CC(C)(C)C[C@@H]1C[C@H](OS(C)(=O)=O)CN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
ANPEP P15144 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
SCHEMBL28593603 0.84 MMP2 (0.34) MMP2ANPEP
SCHEMBL19898240 0.84 MMP2 (0.34) MMP2ANPEP
SCHEMBL18426092 0.82 MMP2 (0.33) MMP2ANPEP
SCHEMBL4292035 0.82 MMP2 (0.32) MMP2ANPEP
SCHEMBL3952269 0.81 MMP2 (0.30) MMP2ANPEP
SCHEMBL3945766 0.81 MMP2 (0.35) MMP2ANPEP
SCHEMBL3249508 0.81 MMP2 (0.35) MMP2ANPEP
SCHEMBL26086744 0.81 MMP2 (0.35) MMP2ANPEP
SCHEMBL3831331 0.79
SCHEMBL3950857 0.79 MMP2 (0.32) MMP2ANPEP

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
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB MMP2 3130/4885ANPEP 1821/4885

“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.