SCHEMBL4122289

SCHEMBL4122289

CC(C)(C)OC(=O)NC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.76
CTSK P43235 5/20 0.76
ACE P12821 4/20 0.56
MME P08473 2/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
HRH4 Q9H3N8 1/20 0.54
PTPN1 P18031 1/20 0.53
SCN9A Q15858 1/20 0.53
CYP3A4 P08684 4/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
CTSL P07711 2/20 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
SCHEMBL613640 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL4600435 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL29401990 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL17137918 0.95 CTSS (0.77) CTSSCTSKACEMMECPA1
SCHEMBL17137921 0.95 CTSS (0.77) CTSSCTSKACEMMECPA1
Dipentylamine SCHEMBL9536578 0.89 CTSK (0.63) CTSSCTSKACEMMECPA1
SCHEMBL345085 0.89 CTSK (0.65) CTSSCTSKACEPTPN1CYP3A4
SCHEMBL7288479 0.89 CTSK (0.65) CTSSCTSKACEPTPN1CYP3A4
SCHEMBL8662603 0.89 CTSS (0.62) CTSSCTSKACEMMECPA1
SCHEMBL8554176 0.89 CTSS (0.74) CTSSCTSKACEMMECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105524-B Polypeptide derivative copper complex, preparation method and application thereof, and anticancer drug 首都医科大学 2022-05-17 CN disclosed
CN-112691081-B Paclitaxel micelle based on (S) -2-decanoylamino-3- (1-naphthyl) propionyl-leucyl-valine 首都医科大学 2022-04-22 CN disclosed
US-11207370-B2 Peptidomimetics for the treatment of coronavirus and picornavirus infections EMORY UNIVERSITY (US) 2021-12-28 US disclosed
CN-113260365-A Novel compound and pharmaceutical composition for enhancing anticancer activity comprising the same 治愈医药社株式会社 2021-08-13 CN disclosed
CN-113105524-A Polypeptide derivative copper complex, preparation method and application thereof, and anticancer drug 首都医科大学 2021-07-13 CN disclosed
CN-112691081-A Paclitaxel micelle based on (S) -2-decanoylamino-3- (1-naphthyl) propionyl-leucyl-valine 首都医科大学 2021-04-23 CN disclosed
CN-112279887-A Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof 首都医科大学 2021-01-29 CN disclosed
US-20210008150-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS EMORY UNIVERSITY 2021-01-14 US disclosed
WO-2019077507-A1 PROCESS FOR PREPARATION OF LANREOTIDE ACETATE EMCURE PHARMACEUTICALS LIMITED (IN) 2019-04-25 WO disclosed
WO-2017178950-A1 PROCESS FOR PREPARATION OF LANREOTIDE ACETATE EMCURE PHARMACEUTICALS LIMITED (IN) 2017-10-19 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed
US-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 US disclosed
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 EP disclosed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 EP disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP disclosed
EP-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 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-20210008150-A1 PEPTIDOMIMETICS FOR THE TREATMENT OF CORONAVIRUS AND PICORNAVIRUS INFECTIONS ACE2, SARS1, VIP CTSS 332/4885CTSK 1160/4885ACE 4/4885
US-11207370-B2 Peptidomimetics for the treatment of coronavirus and picornavirus infections ACE2, SARS1, VIP CTSS 332/4885CTSK 1160/4885ACE 4/4885

“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.