SCHEMBL1152786

SCHEMBL1152786

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ELANE P08246 2/20 0.55
CTSS P25774 8/20 0.54
CTSL P07711 7/20 0.54
CTSK P43235 6/20 0.54
CTSB P07858 5/20 0.54
CTRB1 P17538 2/20 0.52
PRTN3 P24158 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL7300987 1.00 ATM (0.56) ATMELANECTSSCTSLCTSK
SCHEMBL28216854 0.91 CTSK (0.56) ATMELANECTSSCTSLCTSK
SCHEMBL7181654 0.90 CTSS (0.57) CTSSCTSLCTSKCTSB
SCHEMBL7183454 0.90 CTSS (0.57) CTSSCTSLCTSKCTSB
SCHEMBL4092509 0.89 ELANE (0.51) ATMELANECTSSCTSLCTSK
SCHEMBL16834866 0.88 ATM (0.56) ATMELANECTSSCTSLCTSK
SCHEMBL16846451 0.88 ATM (0.56) ATMELANECTSSCTSLCTSK
SCHEMBL8211096 0.87 CTSS (0.61) ATMELANECTSSCTSLCTSK
SCHEMBL7307319 0.87 CTSS (0.61) ATMELANECTSSCTSLCTSK
SCHEMBL7307315 0.87 CTSS (0.61) ATMELANECTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP claimed
CN-1036832-C Composition containing a penem or carbapenem artibiotic and the use of the same SANKYO CO (JP) 1997-12-31 CN claimed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO claimed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO claimed
CN-110023474-A Purposes, washing methods and utensil washing composition of the enzyme for washing 诺维信公司 2019-07-16 CN disclosed
CN-108025084-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2018-05-11 CN disclosed
CN-107921146-A Spindle drives the antibody drug conjugate (ADC) of albumen (KSP) inhibitor and the antibody of anti-CD123 拜耳医药股份有限公司 2018-04-17 CN disclosed
CN-107635586-A The antibody drug conjugate (ADC) of KSP inhibitor and not glycosyafated anti-TWEAKR antibody 拜耳医药股份有限公司 2018-01-26 CN disclosed
EP-3233127-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2016096610-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
CN-1186434-A Pharmaceutical composition containing protease inhibitor and monoglyceride HOFFMANN LA ROCHE (US) 1998-07-01 CN disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0363284-B1 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMA INC (US) 1997-05-14 EP disclosed
US-5614533-A Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) 1997-03-25 US disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
EP-0410411-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-30 EP disclosed
EP-0363284-A2 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMACEUTICALS INC. (US) 1990-04-11 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 (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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 ATM 4525/4885ELANE 527/4885CTSS 661/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ATM 4424/4885ELANE 19/4885CTSS 1816/4885

“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.