SCHEMBL1789747

SCHEMBL1789747

CC(C)(C)OC(=O)NC(C(=O)O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 5/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
REN P00797 1/20 0.42
CTSL P07711 2/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.40
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3220161 1.00 CTSK (0.48) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL3685468 1.00 CTSK (0.48) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL11522699 0.89 CTSK (0.46) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL11691694 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL14217667 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL5027594 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL7158579 0.87 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL9779450 0.86 CTSK (0.45) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL3224065 0.85 CTSK (0.43) CTSKCTSSCYP3A4CYP2D6CYP2C9
SCHEMBL9779446 0.83 CTSS (0.51) CTSKCTSSCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110512198-A A kind of chemical bronze plating liquid, chemical plating copper film and preparation method thereof SUZHOU SKYCHEM LTD 2019-11-29 CN claimed
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 EP disclosed
CN-110512198-A A kind of chemical bronze plating liquid, chemical plating copper film and preparation method thereof SUZHOU SKYCHEM LTD 2019-11-29 CN disclosed
EP-3303328-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2019-03-20 EP disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 EP disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 EP disclosed
US-9636336-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-02 US disclosed
US-20160346268-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 US disclosed
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 EP disclosed
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 EP disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
US-4735937-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4463172-A Process for producing 2-methyl cephem-2-em and 2-methylcephem-3-em derivitaves TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-07-31 US disclosed
US-4430498-A 8-Oxo-5-thia-1-azabicyclo(4,2,0)oct-2-ene compounds CIBA-GEIGY CORPORATION (US) 1984-02-07 US disclosed
US-4405778-A Process for preparing cephalosporin ethers CIBA-GEIGY CORPORATION (US) 1983-09-20 US disclosed
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
EP-0035357-A1 2-Methylcephalosporins and production thereof Takeda Chemical Industries, Ltd. (JP) 1981-09-09 EP disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 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 (1 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-20160346268-A1 AMINOESTER DERIVATIVES PDE4A, PDE4B, PDE3B CTSK 2607/4885CTSS 2198/4885CYP3A4 17/4885

“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.