SCHEMBL4030323

SCHEMBL4030323

C[C@H](NC(=O)OC(C)(C)C)[C@H]1CNC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.36
NFKB1 P19838 4/20 0.36
NFKB2 Q00653 4/20 0.36
RELA Q04206 4/20 0.36
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4030322 1.00 CA1 (0.39) CA1CA2CA7GAAEPHX2
SCHEMBL19194733 0.84 CA1 (0.38) CA1CA2CA7GAAEPHX2
SCHEMBL8467956 0.80 TSHR (0.36) CA1CA2EPHX2TSHR
SCHEMBL2001628 0.80 CA1 (0.44) CA1CA2CA7GAACYP2D6
SCHEMBL17494216 0.80 TSHR (0.36) CA1CA2EPHX2TSHR
SCHEMBL8467430 0.78 SCN8A (0.33) TSHR
SCHEMBL24439605 0.77 CA1 (0.47) CA1CA2CA7EPHX2CYP2D6
SCHEMBL25281173 0.77 CA1 (0.47) CA1CA2CA7EPHX2CYP2D6
SCHEMBL7502948 0.76 CACNA1B (0.32) CA1CA2CA7GAAEPHX2
SCHEMBL3188762 0.75 CA1 (0.40) CA1CA2CA7CYP2D6KMT2A

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
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 CA1 4777/4885CA2 3059/4885CA7 3078/4885

“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.