SCHEMBL10144067

SCHEMBL10144067

COC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KLK5 Q9Y337 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PEPD P12955 2/20 0.46
POLB P06746 1/20 0.44
ACE P12821 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XPNPEP1 Q9NQW7 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
FKBP1A P62942 1/20 0.41
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
CMA1 P23946 1/20 0.39
CTRC Q99895 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
SCHEMBL10889619 0.90 TSHR (0.56) TSHRCTSSCTSKPEPDPOLB
SCHEMBL18630366 0.87 KLK5 (0.49) KLK5PEPDACEXPNPEP1F2
SCHEMBL29445782 0.86 TSHR (0.47) TSHRKLK5CTSSCTSKPOLB
SCHEMBL8254962 0.86 CTSK (0.50) KLK5CTSSCTSKPEPDACE
SCHEMBL28186217 0.85 KLK5 (0.52) KLK5PEPDPOLBACEXPNPEP1
SCHEMBL30193081 0.85 KLK5 (0.52) KLK5PEPDPOLBACEXPNPEP1
SCHEMBL30131268 0.85 ITGB3 (0.47) TSHRKLK5CTSSCTSKPEPD
SCHEMBL10403621 0.84 KLK7 (0.53) TSHRKLK5ACEMEN1KMT2A
SCHEMBL31029905 0.84 TSHR (0.54) TSHRCTSSCTSKPOLBACE
SCHEMBL21536111 0.82 CTSK (0.53) KLK5CTSSCTSKPEPDACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 TSHR 3693/4885KLK5 2581/4885CTSS 2126/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 TSHR 3693/4885KLK5 2581/4885CTSS 2126/4885

“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.