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Sugi Predict / Compounds / SCHEMBL10144086

SCHEMBL10144086

SCHEMBL10144086

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.55
▸ CTSK P43235 5/20 0.55
▸ CA2 P00918 1/20 0.52
▸ REN P00797 1/20 0.52
▸ TSHR P16473 1/20 0.48
▸ KLK5 Q9Y337 2/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ CCKBR P32239 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MME P08473 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ IL1RN P18510 2/20 0.45
▸ ERAP2 Q6P179 2/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.44

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
SCHEMBL14509564 0.90 CTSS (0.58) CTSSCTSKTSHRKLK5MDM4
SCHEMBL22191069 0.89 CTSS (0.67) CTSSCTSKRENTSHRKLK5
SCHEMBL22191071 0.89 CTSS (0.67) CTSSCTSKRENTSHRKLK5
SCHEMBL22201737 0.89 CTSS (0.67) CTSSCTSKRENTSHRKLK5
SCHEMBL10622656 0.88 CTSS (0.62) CTSSCTSKCA2RENCCKBR
SCHEMBL10622674 0.88 CTSS (0.62) CTSSCTSKCA2RENCCKBR
SCHEMBL11333258 0.88 CTSS (0.59) CTSSCTSKCA2RENKLK5
SCHEMBL2574440 0.87 CTSS (0.66) CTSSCTSKTSHRKLK5MDM4
SCHEMBL30374091 0.87 CTSS (0.66) CTSSCTSKTSHRKLK5MDM4
SCHEMBL539575 0.87 CTSS (0.66) CTSSCTSKTSHRKLK5MDM4

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 CTSS 2126/4885CTSK 3357/4885CA2 1237/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885CA2 1237/4885

“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.