SCHEMBL2696554

SCHEMBL2696554

O=C(N[C@@H]1CCN(CCn2c(=O)ccc3c(F)cc(F)cc32)C[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.41
CASP3 P42574 3/20 0.37
CTSB P07858 3/20 0.37
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.37
ACKR3 P25106 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CTSS P25774 2/20 0.36
DPP4 P27487 2/20 0.36
KCNH2 Q12809 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
TACR1 P25103 2/20 0.36
SLC18A2 Q05940 3/20 0.35
HTR2A P28223 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL2699307 1.00 CPB1 (0.41) CPB1CASP3CTSBCTSKCTSL
SCHEMBL704762 0.93 CPB1 (0.49) CPB1CASP3CTSBCTSKCTSL
SCHEMBL703729 0.93 CPB1 (0.49) CPB1CASP3CTSBCTSKCTSL
SCHEMBL708864 0.83 ACKR3 (0.35) ACKR3KCNH2SLC18A2HTR2ASLC6A3
SCHEMBL703730 0.83 CPB1 (0.38) CPB1CASP3CTSBCTSKCTSL
SCHEMBL704763 0.83 CPB1 (0.38) CPB1CASP3CTSBCTSKCTSL
SCHEMBL2698574 0.78 GRIN1 (0.33) KCNH2SLC18A2HTR2ASLC6A3
SCHEMBL2700729 0.78 GRIN1 (0.33) KCNH2SLC18A2HTR2ASLC6A3
SCHEMBL2698668 0.77 CPB1 (0.51) CPB1CASP3CTSBCTSKCTSL
SCHEMBL2699151 0.77 CPB1 (0.51) CPB1CASP3CTSBCTSKCTSL

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 1228/4885CASP3 487/4885CTSB 308/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CPB1 1228/4885CASP3 487/4885CTSB 308/4885

“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.