SCHEMBL9911449

SCHEMBL9911449

CCC(CC)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 1/20 0.52
CTSK P43235 11/20 0.51
CTSS P25774 5/20 0.51
SYK P43405 1/20 0.49
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20757550 0.92 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL102361 0.90 CTSK (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL1809284 0.90 CTSK (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL1809285 0.90 CTSK (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL2293242 0.88 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL22077639 0.88 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL20936155 0.88 CTSK (0.51) CA1CA2CA7CTSKCTSS
SCHEMBL15684485 0.88 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL858081 0.88 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL10464366 0.88 CTSK (0.46) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11684616-B2 Azalactam compounds as HPK1 inhibitors PFIZER INC. (US) 2023-06-27 US disclosed
EP-3868758-B1 THIADIAZOLE DERIVATIVES AND USE THEREOF AS A GLS1 INHIBITORS FOR THE TREATMENT OF CANCER MEDSHINE DISCOVERY INC (CN) 2023-01-04 EP disclosed
WO-2022194192-A1 HETEROAROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-09-22 WO disclosed
EP-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 EP disclosed
WO-2017100201-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-15 WO disclosed
CN-104781251-B Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle 百时美施贵宝公司 2016-12-14 CN disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US disclosed
CN-103327972-A Substituted benzamides and their uses UNIV LELAND STANFORD JUNIOR 2013-09-25 CN disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (3 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CA1 2217/4885CA2 651/4885CA7 3933/4885
US-11684616-B2 Azalactam compounds as HPK1 inhibitors CDKN1A, HIPK1, CMPK1 CA1 3724/4885CA2 3126/4885CA7 3517/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E CA1 4688/4885CA2 4686/4885CA7 4300/4885

“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.