SCHEMBL3133276

SCHEMBL3133276

CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSL P07711 4/20 0.56
SYK P43405 1/20 0.55
PPARA Q07869 3/20 0.52
KLK5 Q9Y337 2/20 0.51
APP P05067 1/20 0.51
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 2/20 0.47
PPARG P37231 2/20 0.47

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
SCHEMBL31220447 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL8224022 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL20993818 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL6181712 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL13827783 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL3133278 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
SCHEMBL16488769 1.00 CTSS (0.56) CTSSCTSLSYKPPARAKLK5
Hydrochloric Acid SCHEMBL28347449 0.99 CTSS (0.55) CTSSCTSLSYKPPARAKLK5
SCHEMBL12873000 0.91 KLK5 (0.57) CTSSCTSLSYKPPARAKLK5
SCHEMBL6388701 0.91 KLK5 (0.57) CTSSCTSLSYKPPARAKLK5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-11583516-B2 Dash inhibitors, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-02-21 US disclosed
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists TRUSTEES OF TUFTS COLLEGE (US) 2023-01-24 US disclosed
US-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO AVACTA LIFE SCIENCES, LIMITED (GB) 2021-11-18 US disclosed
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2020-02-20 US disclosed
US-10414731-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-17 US disclosed
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 US disclosed
EP-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
US-20180346424-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 US disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
EP-1992611-B1 ISODIPEPTIDE USEFUL AS A SYNTHETIC UNIT FOR MAKING PEPTIDES KISO YOSHIAKI (JP) 2010-07-07 EP disclosed
US-20100152418-A1 Switch-Peptides as Tool for the Study of Fibrillogenesis EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2010-06-17 US disclosed
US-20090318669-A1 Novel Isodipeptide KISO YOSHIAKI 2009-12-24 US disclosed
EP-1992611-A1 NOVEL ISODIPEPTIDE Kiso, Yoshiaki (JP) 2008-11-19 EP 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 (17 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-20210353652-A1 TUMOR MICROENVIRONMENT-ACTIVATED DRUG-BINDER CONJUGATES, AND USES RELATED THERETO CD47, VCAM1, CD44 CTSS 215/4885CTSL 146/4885SYK 365/4885
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 CTSS 1013/4885CTSL 327/4885SYK 1276/4885
US-11583516-B2 Dash inhibitors, and uses related thereto PCNA, CD2BP2, CCNO CTSS 1219/4885CTSL 1135/4885SYK 1895/4885
US-20090318669-A1 Novel Isodipeptide VIP, IAPP, ANPEP CTSS 2372/4885CTSL 50/4885SYK 2176/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 CTSS 471/4885CTSL 223/4885SYK 1914/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 CTSS 471/4885CTSL 223/4885SYK 1914/4885
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 CTSS 320/4885CTSL 100/4885SYK 4442/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 CTSS 320/4885CTSL 100/4885SYK 4442/4885
US-10414731-B2 Substituted oxopyridine derivatives OGFOD1, PNPO, PTGIS CTSS 4264/4885CTSL 2306/4885SYK 911/4885
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 CTSS 717/4885CTSL 909/4885SYK 569/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR CTSS 2162/4885CTSL 2233/4885SYK 1048/4885
US-20100152418-A1 Switch-Peptides as Tool for the Study of Fibrillogenesis IAPP, APP, SPPL2B CTSS 2143/4885CTSL 558/4885SYK 4267/4885
US-20180346424-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, PNPO, VASP CTSS 3857/4885CTSL 1713/4885SYK 1037/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 CTSS 471/4885CTSL 223/4885SYK 1914/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 CTSS 320/4885CTSL 100/4885SYK 4442/4885
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 CTSS 448/4885CTSL 210/4885SYK 1947/4885
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 CTSS 1294/4885CTSL 1346/4885SYK 1748/4885

“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.