SCHEMBL2936657

SCHEMBL2936657

CCC(Br)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.54
GAA P10253 1/20 0.52
MMP8 P22894 1/20 0.51
MME P08473 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ANPEP P15144 1/20 0.50
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN9A Q15858 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL23754579 1.00 KMT2A (0.55) KMT2AMEN1GAAMMP8MME
SCHEMBL10638067 0.87 KMT2A (0.53) KMT2AMEN1MMP8MMEALDH1A1
SCHEMBL26451372 0.85 KMT2A (0.60) KMT2AMEN1GAAALDH1A1ANPEP
SCHEMBL526281 0.84 KMT2A (0.53) KMT2AMEN1GAAMMP8MME
SCHEMBL8514567 0.84 KMT2A (0.53) KMT2AMEN1GAAMMP8MME
SCHEMBL526555 0.84 KMT2A (0.53) KMT2AMEN1GAAMMP8MME
SCHEMBL9276843 0.84 KMT2A (0.57) KMT2AMEN1GAAMMP8MME
SCHEMBL27554760 0.83 HPGD (0.54) KMT2AMEN1GAAALDH1A1ANPEP
SCHEMBL23775683 0.83 POLB (0.66) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL13608946 0.82 KMT2A (0.67) KMT2AMEN1GAAMMP8MME

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US disclosed
US-20230117284-A1 PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID FROM (R)-2-AMINOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-04-20 US disclosed
EP-4103538-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP disclosed
CN-115103829-A Method for preparing S-fluorobutachlor by resolving 2-bromobutyric acid 凯米诺瓦有限公司 2022-09-23 CN disclosed
CN-115087633-A Method for synthesizing S-fluorobutachlor from (R) -2-aminobutyric acid 凯米诺瓦有限公司 2022-09-20 CN disclosed
WO-2021161100-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2021-08-19 WO disclosed
US-8946476-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-02-03 US disclosed
US-20110263899-A1 Novel Process for the Preparation of Amino Acid Derivatives UCB PHARMA GMBH (DE) 2011-10-27 US disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
EP-0427445-B1 Benzylideneaminoxyalkanoic acid (thio) amide derivative, process for preparing the same and herbicide UBE INDUSTRIES (JP) 1994-06-08 EP disclosed
US-5314865-A Certain alkylidine aminooxyamide compounds useful as herbicides ICI AMERICAS INC. (US) 1994-05-24 US disclosed
EP-0427445-A1 Benzylideneaminoxyalkanoic acid (thio) amide derivative, process for preparing the same and herbicide UBE INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
US-5002605-A Herbicides ICI AMERICAS INC. (US) 1991-03-26 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 (4 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD KMT2A 3722/4885MEN1 1437/4885GAA 84/4885
US-20230117284-A1 PROCESS FOR THE SYNTHESIS OF S-BEFLUBUTAMID FROM (R)-2-AMINOBUTANOIC ACID SRM, SCN1B, SUCNR1 KMT2A 2698/4885MEN1 2042/4885GAA 2502/4885
US-20110263899-A1 Novel Process for the Preparation of Amino Acid Derivatives BCAT2, DNPEP, NPEPPS KMT2A 514/4885MEN1 3770/4885GAA 1062/4885
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID RAC2, RAC1, RAC3 KMT2A 4178/4885MEN1 1417/4885GAA 3983/4885

“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.