SCHEMBL693298

SCHEMBL693298

CCCCNC(CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.46
ALOX15 P16050 1/20 0.42
TGFBR1 P36897 3/20 0.41
EPHX1 P07099 2/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.37
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL27557225 1.00 NOD1 (0.46) NOD1ALOX15TGFBR1EPHX1CA2
SCHEMBL693299 1.00 NOD1 (0.46) NOD1ALOX15TGFBR1EPHX1CA2
SCHEMBL2282993 0.94 NOD1 (0.48) NOD1TGFBR1EPHX1PLA2G2APLA2G5
SCHEMBL2282988 0.94 NOD1 (0.48) NOD1TGFBR1EPHX1PLA2G2APLA2G5
SCHEMBL25253112 0.92 NOD1 (0.50) NOD1EPHX1PLA2G2APLA2G5KDM4E
SCHEMBL5585038 0.92 NOD1 (0.50) NOD1EPHX1PLA2G2APLA2G5KDM4E
SCHEMBL5585036 0.92 NOD1 (0.50) NOD1EPHX1PLA2G2APLA2G5KDM4E
SCHEMBL24660133 0.92 NOD1 (0.50) NOD1EPHX1PLA2G2APLA2G5KDM4E
SCHEMBL11799326 0.92 NOD1 (0.50) NOD1EPHX1PLA2G2APLA2G5KDM4E
SCHEMBL30843340 0.92 NOD1 (0.50) NOD1EPHX1PLA2G2APLA2G5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514671-A SERINE ALKYL, CYCLOHEXYL OR AROMATIC ETHERS IN VEHICLE; SUPPRESSING BODY ODOR BY APPLYING TO SKIN THE GILLETTE COMPANY 1996-05-07 US claimed
EP-0644887-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID. SMITHKLINE BEECHAM PLC (GB) 1995-03-29 EP claimed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO claimed
EP-0521871-A4 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS 1993-03-10 EP claimed
EP-0521871-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1993-01-13 EP claimed
WO-1991011988-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1991-08-22 WO claimed
CN-116082190-A Industrial production method of efficient Fmoc-Ser (tBu) -OH 常州吉恩药业有限公司 2023-05-09 CN disclosed
CN-114634460-A Process for preparing carboxyanhydrides 北京大学 2022-06-17 CN disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
CN-104163848-A Synthetic method of dipeptide Fmoc-Ser(tBu)-Cys-OH SUZHOU VIVOTIDE BIOTECHNOLOGIES CO LTD 2014-11-26 CN disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
EP-2585437-A2 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2013-05-01 EP disclosed
EP-2421844-A1 THIOPHENE INHIBITORS OF IKK-B SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2012-02-29 EP disclosed
EP-0672670-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed
EP-0644887-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID. SMITHKLINE BEECHAM PLC (GB) 1995-03-29 EP disclosed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO disclosed
EP-0521871-A4 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS 1993-03-10 EP disclosed
EP-0521871-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1993-01-13 EP disclosed
WO-1991011988-A1 ALTERNATIVE ENZYME SUBSTRATES AS DEODORANTS THE GILLETTE COMPANY (US) 1991-08-22 WO disclosed
US-4457866-A MEDICAL DIAGNOSIS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1984-07-03 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 (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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP NOD1 3600/4885ALOX15 4357/4885TGFBR1 2721/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP NOD1 3581/4885ALOX15 4322/4885TGFBR1 2807/4885

“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.