SCHEMBL4139942

SCHEMBL4139942

COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.52
ANPEP P15144 8/20 0.52
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
PEPD P12955 2/20 0.31
FKBP1A P62942 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL15130169 0.89 MMP2 (0.39) MMP2ANPEPALDH1A1PEPDFKBP1A
SCHEMBL5633357 0.86 ATM (0.49) MMP2ANPEPATM
SCHEMBL7456999 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL142967 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL18577311 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL24826391 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL1269514 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL2387781 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL1269513 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1
SCHEMBL6624196 0.85 P2RX3 (0.40) MMP2ANPEPALDH1A1

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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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 MMP2 3959/4885ANPEP 4746/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MMP2 3985/4885ANPEP 4766/4885ALDH1A1 2713/4885

“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.