SCHEMBL345437

SCHEMBL345437

Fc1cc(F)c(Br)cc1F.[MgH2]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.43
KDM1B Q8NB78 5/20 0.43
KCNH2 Q12809 4/20 0.43
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA9 Q16790 1/20 0.30

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
SCHEMBL29365213 0.97 KDM1A (0.44) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL345490 0.97 KDM1A (0.44) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL505780 0.89 KDM1A (0.48) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL502648 0.86 KDM1A (0.41) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL28157241 0.83 KDM1A (0.44) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL29710388 0.82 AHR (0.39) KDM1AKDM1BKCNH2CA1CA2
SCHEMBL733675 0.82 AHR (0.39) KDM1AKDM1BKCNH2CA1CA2
Tetrahydrofuran SCHEMBL28812758 0.77 KDM1A (0.38) KDM1AKDM1BKCNH2
Ether SCHEMBL27967823 0.77 HPGD (0.35) KDM1AKDM1BKCNH2RAB9A
SCHEMBL23539570 0.73 KDM1A (0.48) KDM1AKDM1BKCNH2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2647624-B1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO LTD (CN) 2016-10-12 EP claimed
CN-104387259-B One is prepared the method for 2,4,5-trifluoro benzene acetic acid QUZHOU UNIVERSITY (CN) 2016-05-04 CN claimed
US-9187419-B2 Intermediates of sitagliptin and preparation process thereof ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2015-11-17 US claimed
CN-104387259-A Method for preparing 2,4,5-trifluorophenylacetic acid UNIV QUZHOU 2015-03-04 CN claimed
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO., LTD. (CN) 2013-10-24 US claimed
EP-2647624-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF Zhejiang Hisoar Pharmaceutical Co., Ltd (CN) 2013-10-09 EP claimed
CN-116694697-A Preparation method of sitagliptin phosphate monohydrate 安庆朗坤药业有限公司 2023-09-05 CN disclosed
CN-108314688-B A kind of synthetic method of sitagliptin 安徽海康药业有限责任公司 2019-08-06 CN disclosed
CN-106966940-B A kind of preparation method of Sitagliptin phosphate intermediate N arylmethyl -2S- cyano methyl acridine 新发药业有限公司 2019-03-19 CN disclosed
CN-105294479-B A kind of 3R amino replaces the preparation method of butanamide derivatives 新发药业有限公司 2017-09-22 CN disclosed
CN-105061434-B Preparation method of sitagliptin phosphate 新发药业有限公司 2017-07-21 CN disclosed
CN-106966940-A A kind of preparation method of Sitagliptin phosphate intermediate N arylmethyls 2S cyano methyl acridines 新发药业有限公司 2017-07-21 CN disclosed
EP-2647624-B1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF ZHEJIANG HISOAR PHARMACEUTICAL CO LTD (CN) 2016-10-12 EP disclosed
EP-2647624-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF Zhejiang Hisoar Pharmaceutical Co., Ltd (CN) 2013-10-09 EP disclosed
CN-102378752-A Improved method for manufacturing dipeptidyl peptidase-iv inhibitor and intermediate DONG A PHARM CO LTD 2012-03-14 CN disclosed
CN-102378751-A Improved process for preparing dipeptidyl peptidase-IV inhibitors and intermediates DONG A PHARM CO LTD 2012-03-14 CN disclosed
EP-2415754-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed
EP-2415753-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 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 (3 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-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 KDM1A 2378/4885KDM1B 2369/4885KCNH2 3226/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 KDM1A 2901/4885KDM1B 2768/4885KCNH2 3043/4885
US-20130281695-A1 INTERMEDIATES OF SITAGLIPTIN AND PREPARATION PROCESS THEREOF DPP4, DPP9, DPP3 KDM1A 2163/4885KDM1B 2457/4885KCNH2 4495/4885

“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.