SCHEMBL17138017

SCHEMBL17138017

COC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.68
CTSK P43235 4/20 0.68
CTSB P07858 2/20 0.68
CTSL P07711 1/20 0.68
KLK5 Q9Y337 1/20 0.67
ALDH1A1 P00352 1/20 0.61
THRB P10828 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
REN P00797 4/20 0.60
AKT1 P31749 1/20 0.59
ACE P12821 1/20 0.59
ATM Q13315 1/20 0.55

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
SCHEMBL30135036 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6051752 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL27507036 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL20030598 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL17138015 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6292728 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL21473748 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL1196457 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL84524 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL29586741 0.94 CTSS (0.65) CTSSCTSKCTSBCTSLKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280075-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2022-05-20 CN disclosed
US-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-01-18 US disclosed
US-10550150-B2 Short-chain peptides as Kappa (κ) opioid receptors (KOR) agonist CADILA HEALTHCARE LIMITED (IN) 2020-02-04 US disclosed
US-10550150-B2 Short-chain peptides as Kappa (κ) opioid receptors (KOR) agonist CADILA HEALTHCARE LIMITED (IN) 2020-02-04 US disclosed
CN-109563133-A POLYAMIDE COMPOUND AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-04-02 CN disclosed
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY UNITED STATES GOVERNMENT 2019-03-21 US disclosed
CN-109280075-A Peptide amide class compound and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2019-01-29 CN disclosed
US-20180282369-A1 NOVEL SHORT-CHAIN PEPTIDES AS KAPPA (κ) OPIOID RECEPTORS (KOR) AGONIST CADILA HEALTHCARE LIMITED (IN) 2018-10-04 US disclosed
EP-3294315-A2 NOVEL SHORT-CHAIN PEPTIDES AS KAPPA OPIOID RECEPTORS (KOR) AGONIST Cadila Healthcare Limited (IN) 2018-03-21 EP disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
WO-2016181408-A2 NOVEL SHORT-CHAIN PEPTIDES AS KAPPA (κ) OPIOID RECEPTORS (KOR) AGONIST CADILA HEALTHCARE LIMITED (IN) 2016-11-17 WO disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
CN-1196686-C Method for storing quaternary ammonium salt TOKUYAMA CORP (JP) 2005-04-13 CN disclosed
CN-1372554-A Method for preserving quaternary ammonium salts TOKUYAMA CORP (JP) 2002-10-02 CN 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 (5 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-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 CTSS 4146/4885CTSK 4035/4885CTSB 3936/4885
US-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity TFAM, ELF3, TEAD4 CTSS 2902/4885CTSK 3233/4885CTSB 2174/4885
US-10550150-B2 Short-chain peptides as Kappa (κ) opioid receptors (KOR) agonist OPRK1, OPRL1, OPRD1 CTSS 1924/4885CTSK 1506/4885CTSB 2129/4885
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY TFAM, ELF3, TEAD4 CTSS 2902/4885CTSK 3233/4885CTSB 2174/4885
US-20180282369-A1 NOVEL SHORT-CHAIN PEPTIDES AS KAPPA (κ) OPIOID RECEPTORS (KOR) AGONIST OPRK1, OPRL1, OPRD1 CTSS 2139/4885CTSK 1747/4885CTSB 2311/4885

“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.