SCHEMBL15021100

SCHEMBL15021100

CC(C)(C)OC(=O)NC(=O)[C@H](Cc1ccccc1)NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.58
CTSK P43235 7/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
ACE P12821 1/20 0.53
ATM Q13315 1/20 0.51
AKT1 P31749 1/20 0.51
KLK5 Q9Y337 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
APP P05067 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
REN P00797 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL13731820 0.89 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6800679 0.82 ITGA4 (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL6800676 0.82 ITGA4 (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL7064453 0.82 BCHE (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL4420857 0.82 ATM (0.55) CTSSCTSKCTSBCTSLACE
SCHEMBL10653891 0.81 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL8951298 0.81 CTSS (0.73) CTSSCTSKCTSBCTSLACE
SCHEMBL17154025 0.80 CTSS (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL10956368 0.79 CTSS (0.48) CTSSCTSKCTSBCTSLACE
SCHEMBL19513108 0.78 CTSS (0.70) CTSSCTSKCTSBCTSLACE

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
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-8722629-B2 Auristatin derivatives and use thereof SEATTLE GENETICS, INC. (US) 2014-05-13 US disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 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 (3 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-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR CTSS 2162/4885CTSK 1706/4885CTSB 3324/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR CTSS 2162/4885CTSK 1706/4885CTSB 3324/4885
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF AURKC, AURKA, AURKB CTSS 1956/4885CTSK 1143/4885CTSB 1282/4885

“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.