SCHEMBL6168154

SCHEMBL6168154

CCC(CC(NC(=O)OC(C)(C)C)C(=O)OC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.48
CTSS P25774 5/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
CTSL P07711 2/20 0.44
BIRC2 Q13490 1/20 0.43
CTSB P07858 1/20 0.43
CA7 P43166 1/20 0.41
CAPN1 P07384 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL6168157 1.00 CTSK (0.48) CTSKCTSSCA1CA2CYP1A2
SCHEMBL15945081 0.88 CTSK (0.50) CTSKCTSSCA1CA2CYP1A2
SCHEMBL12629350 0.86 CTSK (0.42) CTSKCTSSCA1CA2CYP1A2
SCHEMBL12410339 0.86 CTSK (0.42) CTSKCTSSCA1CA2CYP1A2
SCHEMBL25008491 0.86 CTSK (0.49) CTSKCTSSCA1CA2CYP1A2
SCHEMBL1372787 0.85 CTSK (0.58) CTSKCTSSCA1CA2CYP1A2
SCHEMBL12808094 0.85 CTSK (0.58) CTSKCTSSCA1CA2CYP1A2
SCHEMBL241915 0.85 CTSK (0.58) CTSKCTSSCA1CA2CYP1A2
SCHEMBL12629356 0.84 CTSK (0.50) CTSKCTSSCA1CA2BIRC2
SCHEMBL16119268 0.84 ITGB3 (0.41) CTSKCTSSCA1CA2CYP1A2

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-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 CTSK 1032/4885CTSS 1129/4885CA1 4872/4885

“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.