SCHEMBL5630007

SCHEMBL5630007

COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.69
CTSK P43235 6/20 0.69
CTSB P07858 5/20 0.69
KLK5 Q9Y337 1/20 0.58
PTPN1 P18031 1/20 0.57
TACR1 P25103 1/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
CTSL P07711 2/20 0.52
ACE P12821 1/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL31584535 1.00 CTSS (0.69) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL5844919 0.92 CTSS (0.64) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL16460248 0.90 CTSS (0.66) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL10094314 0.90 CTSS (0.66) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL15808276 0.89 CTSS (0.56) CTSSCTSKCTSBKLK5PTPN1
SCHEMBL1519731 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL3821361 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29397962 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29481445 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL
SCHEMBL29436862 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1CTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185128-A1 Compounds and compositions for treating obesity NOVO NORDISK A/S (DK) 2007-08-09 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-20070185128-A1 Compounds and compositions for treating obesity MC4R, MC5R, MC3R CTSS 3100/4885CTSK 2333/4885CTSB 1384/4885

“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.