SCHEMBL4223090

SCHEMBL4223090

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)C1CC1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.78
CTSS P25774 5/20 0.45
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.39
CTSL P07711 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
CTSV O60911 2/20 0.37

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
SCHEMBL4223101 1.00 CTSK (0.78) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5942130 1.00 CTSK (0.78) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5942134 1.00 CTSK (0.78) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4215063 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4043209 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4215058 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5942270 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5941303 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4223964 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5941302 0.96 CTSK (0.76) CTSKCTSSPOLBCCR1CTSL

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
US-7488724-B2 7-alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors SOUTHERN METHODIST UNIVERSITY FOUNDATION FOR RESEARCH (US) 2009-02-10 US disclosed
US-20060074065-A1 7-alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors ALAMX LLC 2006-04-06 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-20060074065-A1 7-alkylidene-3-substituted-3-cephem-4-carboxylates as beta-lactamase inhibitors CMBL, CES2, BCHE CTSK 637/4885CTSS 138/4885POLB 1529/4885

“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.