SCHEMBL3725618

SCHEMBL3725618

CN[C@@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
DGAT1 O75907 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
MAPT P10636 4/20 0.34
XBP1 P17861 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL3725616 1.00 CA12 (0.42) CA12CA14DGAT1CA1CA2
SCHEMBL3728417 1.00 CA12 (0.42) CA12CA14DGAT1CA1CA2
Hydrochloric Acid SCHEMBL31645354 0.98 CA12 (0.41) CA12CA14DGAT1CA1CA2
Hydrochloric Acid SCHEMBL18342541 0.98 CA12 (0.41) CA12CA14DGAT1CA1CA2
Hydrochloric Acid SCHEMBL5753572 0.98 CA12 (0.41) CA12CA14DGAT1CA1CA2
SCHEMBL30902877 0.90 CA12 (0.37) CA12CA14DGAT1CA1CA2
SCHEMBL5801336 0.88 CA14 (0.46) CA12CA14DGAT1CA1CA2
SCHEMBL13223287 0.86 CA12 (0.37) CA12CA14DGAT1CA1CA2
SCHEMBL3185669 0.81 CA12 (0.42) CA12CA14DGAT1CA1CA2
SCHEMBL10892359 0.81 CA12 (0.42) CA12CA14DGAT1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570813-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-06-18 EP disclosed
US-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2025-05-01 US disclosed
US-20250042911-A1 NOVEL BENZOPYRAN DERIVATIVE AND USE THEREOF SPARK BIOPHARMA, INC. (KR) 2025-02-06 US disclosed
EP-4392409-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-07-03 EP disclosed
US-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-27 US disclosed
WO-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed
EP-4365175-A1 NOVEL BENZOPYRAN DERIVATIVE AND USE THEREOF Spark Biopharma, Inc. (KR) 2024-05-08 EP disclosed
WO-2024080333-A1 METHOD FOR PRODUCING N-SUBSTITUTED AMINO ACID RESIDUE-CONTAINING CYCLIC PEPTIDE COMPOUND 中外製薬株式会社 2024-04-18 WO disclosed
WO-2023225005-A1 FLT3 COMBINATION THERAPY FOR CANCER AND COMPOSITIONS THEREFOR BIOMEA FUSION, INC. (US) 2023-11-23 WO disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-20140179917-A1 PREPARATION OF MAYTANSINOID ESTERS BIO-THERA SOLUTIONS, LTD., CO. (CN) 2014-06-26 US disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
CN-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1322596-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 US disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 US disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 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 (8 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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R CA12 2086/4885CA14 2594/4885DGAT1 3584/4885
US-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 FLT3, MCL1, JAK2 CA12 4586/4885CA14 4710/4885DGAT1 4804/4885
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT CA12 4594/4885CA14 4542/4885DGAT1 2607/4885
US-20250042911-A1 NOVEL BENZOPYRAN DERIVATIVE AND USE THEREOF MYD88, MYADM, CD14 CA12 4572/4885CA14 4122/4885DGAT1 4746/4885
US-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME NAAA, FAAH, FAAH2 CA12 270/4885CA14 311/4885DGAT1 328/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 CA12 4118/4885CA14 4012/4885DGAT1 3280/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A CA12 2459/4885CA14 2107/4885DGAT1 2103/4885
US-20140179917-A1 PREPARATION OF MAYTANSINOID ESTERS WEE1, WEE2, CRH CA12 496/4885CA14 123/4885DGAT1 3493/4885

“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.