SCHEMBL10144023

SCHEMBL10144023

CCOC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.59
▸ CTSK P43235 3/20 0.59
▸ METAP2 P50579 5/20 0.55
▸ METAP1 P53582 3/20 0.55
▸ CA2 P00918 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ BACE1 P56817 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ REN P00797 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL30064531 0.91 CTSS (0.63) CTSSCTSKMETAP2METAP1CA2
SCHEMBL10144064 0.88 CTSS (0.57) CTSSCTSKCA2CYP1A2CYP2C9
SCHEMBL13143969 0.87 CTSK (0.60) CTSSCTSKMETAP2METAP1CA2
SCHEMBL29918073 0.85 CTSS (0.56) CTSSCTSKMETAP2METAP1CA2
SCHEMBL3729339 0.85 CTSK (0.49) CTSSCTSKMETAP2METAP1CYP1A2
SCHEMBL8778050 0.82 CTSK (0.66) CTSSCTSKCA2CYP1A2CYP2C9
SCHEMBL9352831 0.82 CTSL (0.58) CTSSCTSKMETAP2METAP1CA2
SCHEMBL15663287 0.82 CYP1A2 (0.50) CTSSCTSKMETAP2METAP1CA2
SCHEMBL16667985 0.82 CTSL (0.58) CTSSCTSKMETAP2METAP1CA2
SCHEMBL18946403 0.81 CTSS (0.52) CTSSCTSKCA2BACE1TSHR

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 3357/4885METAP2 856/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885METAP2 856/4885

“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.

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