SCHEMBL10144064

SCHEMBL10144064

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.57
▸ CTSK P43235 2/20 0.57
▸ BACE1 P56817 13/20 0.52
▸ TSHR P16473 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ BACE2 Q9Y5Z0 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ EPHX2 P34913 1/20 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
SCHEMBL15116503 0.89 CTSK (0.53) CTSSCTSKBACE1TSHRBACE2
SCHEMBL10144023 0.88 CTSS (0.59) CTSSCTSKBACE1TSHRCYP1A2
SCHEMBL30402129 0.86 CTSS (0.64) CTSSCTSKBACE1TSHRBACE2
SCHEMBL15113474 0.86 CTSS (0.60) CTSSCTSKBACE1TSHRBACE2
SCHEMBL13143969 0.85 CTSK (0.60) CTSSCTSKTSHRCYP1A2CYP2C9
SCHEMBL10144173 0.84 CYP1A2 (0.48) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL16383458 0.84 CYP1A2 (0.51) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL19388264 0.83 BACE1 (0.61) CTSSCTSKBACE1BACE2
SCHEMBL23743087 0.82 CTSS (0.56) CTSSCTSKBACE1TSHRCA2
SCHEMBL22636065 0.82 CTSS (0.56) CTSSCTSKBACE1TSHRCA2

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 3357/4885BACE1 2484/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 CTSS 2126/4885CTSK 3357/4885BACE1 2484/4885

“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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