SCHEMBL2701573

SCHEMBL2701573

CS(=O)(=O)OCCN1CC[C@@H](NC(=O)OCc2ccccc2)[C@H](C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.48
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSB P07858 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
LTA4H P09960 5/20 0.42
KDM4E B2RXH2 1/20 0.41
CTSS P25774 2/20 0.40
DPP4 P27487 2/20 0.40
KCNH2 Q12809 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 3/20 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
SCHEMBL708006 0.93 CPB1 (0.56) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL2698668 0.85 CPB1 (0.51) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL2699151 0.85 CPB1 (0.51) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL2698300 0.84 CPB1 (0.50) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL709147 0.81 CPB1 (0.57) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL708007 0.80 ALDH1A1 (0.43) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL709053 0.78 CPB1 (0.62) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL706633 0.78 CPB1 (0.62) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL704705 0.77 CPB1 (0.61) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL23415370 0.77 CPB1 (0.54) CPB1ALDH1A1GAACTSBCTSK

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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 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 (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-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CPB1 1228/4885ALDH1A1 2130/4885GAA 455/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CPB1 1228/4885ALDH1A1 2130/4885GAA 455/4885

“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.