SCHEMBL2521938

SCHEMBL2521938

C=CCOC(=O)C(N)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SNCA P37840 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL5135717 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1162237 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL11036766 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1162236 1.00 TDP1 (0.42) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL7952400 0.98 TDP1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL7952403 0.98 TDP1 (0.41) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2730560 0.86 TDP1 (0.43) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL2519765 0.86 TDP1 (0.43) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL1110727 0.83
SCHEMBL28496420 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894909-B Preparation method of natural cyclic peptide petrichorin C 深圳乾延药物研发科技有限公司 2024-12-20 CN claimed
CN-118894909-A Preparation method of natural cyclic peptide petrichorin C 深圳乾延药物研发科技有限公司 2024-11-05 CN claimed
US-20080268077-A1 Process for Strengthening the Barrier Function of Undamaged Skin SYMRISE GMBH & CO. KG (DE) 2008-10-30 US claimed
EP-1802272-A1 PROCESS FOR STRENGTHENING THE BARRIER FUNCTION OF UNDAMAGED SKIN Symrise GmbH & Co. KG (DE) 2007-07-04 EP claimed
WO-2006040349-A1 PROCESS FOR STRENGTHENING THE BARRIER FUNCTION OF UNDAMAGED SKIN SYMRISE GMBH & CO. KG (DE) 2006-04-20 WO claimed
CN-118894909-B Preparation method of natural cyclic peptide petrichorin C 深圳乾延药物研发科技有限公司 2024-12-20 CN disclosed
CN-118894909-A Preparation method of natural cyclic peptide petrichorin C 深圳乾延药物研发科技有限公司 2024-11-05 CN disclosed
WO-2023217590-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed
WO-2023217589-A1 POLYAMIDE MICROCAPSULES FIRMENICH SA (CH) 2023-11-16 WO disclosed
CN-109401512-A A kind of environment protection tile joint trimming agent and preparation method thereof 赵砚霞 2019-03-01 CN disclosed
CN-102471349-B Conformationally constrained, fully synthetic macrocyclic compounds 波利弗尔股份公司 2016-08-24 CN disclosed
CN-102471349-A Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG 2012-05-23 CN disclosed
US-20060155021-A1 Coating compositions containing rheology control agents E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-13 US disclosed
US-20060155146-A1 Rheology control agents AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 US disclosed
WO-2006040349-A1 PROCESS FOR STRENGTHENING THE BARRIER FUNCTION OF UNDAMAGED SKIN SYMRISE GMBH & CO. KG (DE) 2006-04-20 WO disclosed
US-5962660-A COMPOUND WHICH SUPPRESSES SELECTIN-MEDIATED CELLULAR ADHESION; FOR STABLE ANTIINFLAMMATORY AGENTS WITH BETTER BIOAVAILABILITY AND GREATER ACTIVITY WHICH ARE EASIER TO SYNTHESIZE THE SCRIPPS RESEARCH INSTITUTE (US) 1999-10-05 US disclosed
WO-1999010359-A2 LIPOSOMIC BASED SIALYL LEWIS X MIMETICS NOVARTIS AG (CH) 1999-03-04 WO disclosed
CN-1184483-A Fucopeptides NOWADIS LTD (CH) 1998-06-10 CN disclosed
EP-0815127-A1 FUCOPEPTIDES Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029339-A1 FUCOPEPTIDES NOVARTIS AG (CH) 1996-09-26 WO 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-20080268077-A1 Process for Strengthening the Barrier Function of Undamaged Skin CERT1, CERS2, SGMS2 TDP1 4715/4885TSHR 4810/4885MAPT 3655/4885
US-20060155146-A1 Rheology control agents HCRTR1, HCRTR2, REL TDP1 2448/4885TSHR 839/4885MAPT 1498/4885

“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.