SCHEMBL4145893

SCHEMBL4145893

CC(C)[C@@H](C(=O)NN)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MMP13 P45452 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18055298 0.85 AAK1 (0.35) AAK1CA1CA2CA7MMP13
SCHEMBL22267902 0.85 AAK1 (0.35) AAK1CA1CA2CA7MMP13
SCHEMBL16998487 0.83 AAK1 (0.38) AAK1CA1CA2CA7MMP13
SCHEMBL15384679 0.81 AAK1 (0.34) AAK1CA1CA2CA7
SCHEMBL1927870 0.81 AAK1 (0.34) AAK1CA1CA2CA7
SCHEMBL13682813 0.79 CA12 (0.38) AAK1CA1CA2CA7MMP13
SCHEMBL7020025 0.79 CA12 (0.38) AAK1CA1CA2CA7MMP13
SCHEMBL23428809 0.79 CA1 (0.33) AAK1CA1CA2CA7
SCHEMBL2160514 0.79 CA1 (0.33) AAK1CA1CA2CA7MMP13
SCHEMBL59435 0.79 CA1 (0.33) AAK1CA1CA2CA7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B AAK1 1155/4885CA1 1530/4885CA2 1118/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AAK1 922/4885CA1 1157/4885CA2 1273/4885

“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.