SCHEMBL697565

SCHEMBL697565

CS(=O)(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
BCAT2 O15382 1/20 0.45
PARP1 P09874 1/20 0.44
CDC25A P30304 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ITGAV P06756 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
F10 P00742 1/20 0.40
MMP1 P03956 1/20 0.39
GAA P10253 1/20 0.39
MMP12 P39900 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
SCHEMBL7298774 0.84 CA1 (0.48) CA1CA2PARP1CDC25ACA12
SCHEMBL5283947 0.83 ADRA1A (0.47) ADRA1AADRA2AADRA2CADRA1DADRA1B
SCHEMBL28112131 0.83 CA1 (0.66) CA1CA2CA12CA9
SCHEMBL702691 0.81 HTR6 (0.57) CA1CA2CDC25ACA12CA9
SCHEMBL6669464 0.81 ITGAV (0.48) CA1CA2CDC25ACA12CA9
SCHEMBL25264852 0.79 ALDH1A1 (0.43) CA1CA2PARP1CA12CA9
SCHEMBL5692314 0.79 PARP1 (0.51) CA1CA2PARP1CDC25ACA12
SCHEMBL6671258 0.79 TSHR (0.59) CA1CA2CDC25ACA12CA9
SCHEMBL31234444 0.79 ALDH1A1 (0.49) CA1CA2CA12CA9
SCHEMBL31234550 0.79 MCOLN3 (0.51) CA1CA2CA12CA9KDM4E

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-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 ADRA1A 2533/4885ADRA2A 2296/4885ADRA2C 2674/4885

“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.