SCHEMBL6165584

SCHEMBL6165584

CON(C)C(=O)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.62
CTSS P25774 9/20 0.62
JAK3 P52333 1/20 0.52
BTK Q06187 1/20 0.52
CTSL P07711 3/20 0.46
RAB9A P51151 1/20 0.41
CTSB P07858 1/20 0.40
CYP2C19 P33261 1/20 0.39
ACE P12821 1/20 0.39
CTSC P53634 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL6165589 1.00 CTSK (0.62) CTSKCTSSJAK3BTKCTSL
SCHEMBL14164208 0.84 CTSK (0.68) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL2481878 0.83 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL844317 0.83 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL844316 0.83 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL9109963 0.82 CTSK (0.68) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL9109956 0.82 CTSK (0.68) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL1204211 0.81 JAK3 (0.61) CTSKCTSSJAK3BTKCTSL
SCHEMBL20830986 0.81 CTSK (0.73) CTSKCTSSCTSLRAB9ACTSB
SCHEMBL6557659 0.81 JAK3 (0.61) CTSKCTSSJAK3BTKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 US disclosed
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 US disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO 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 (1 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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR CTSK 1300/4885CTSS 1649/4885JAK3 1322/4885

“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.