SCHEMBL344346

SCHEMBL344346

O=C(O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.53
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
DPP4 P27487 2/20 0.47
CASP1 P29466 10/20 0.46
CASP3 P42574 1/20 0.44
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44
PIN1 Q13526 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL344345 1.00 CTRB1 (0.53) CTRB1ITGB3ITGA2BDPP4CASP1
SCHEMBL697987 0.90 CTRB1 (0.50) CTRB1DPP4CASP1SYK
SCHEMBL697985 0.90 CTRB1 (0.50) CTRB1DPP4CASP1SYK
SCHEMBL10054519 0.88 CTRB1 (0.51) CTRB1ITGB3ITGA2BCASP1CASP3
SCHEMBL15604140 0.86 SYK (0.53) CTRB1DPP4CASP1SYK
SCHEMBL16286390 0.86 SYK (0.53) CTRB1DPP4CASP1SYK
SCHEMBL6157326 0.83 CTRB1 (0.74) CTRB1ITGB3ITGA2BCASP1
SCHEMBL6157333 0.83 CTRB1 (0.74) CTRB1ITGB3ITGA2BCASP1
SCHEMBL269901 0.83 ITGB3 (0.54) CTRB1ITGB3ITGA2BMMEECE1
SCHEMBL743824 0.83 DPP4 (0.44) DPP4PIN1

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
EP-2423178-A1 Process for the production of sitagliptin Chemo Ibérica, S.A. (ES) 2012-02-29 EP claimed
EP-2802554-B1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS (SI) 2018-04-25 EP disclosed
CN-103922971-B For the preparation of improving one's methods of the intermediate of dipeptidyl peptidase-iv inhibitor DONG-A ST CO., LTD. (KR) 2016-05-11 CN disclosed
EP-2669266-B1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate DONG A ST CO LTD (KR) 2016-02-24 EP disclosed
US-9249109-B2 Method for preparing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL CO., LTD. (KR) 2016-02-02 US disclosed
US-20150025241-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2015-01-22 US disclosed
EP-2415753-B1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG A PHARM CO LTD (KR) 2014-08-27 EP disclosed
CN-102378751-B Improved process for preparing dipeptidyl peptidase-IV inhibitors and intermediates DONG A PHARM CO LTD 2014-08-20 CN disclosed
CN-103922971-A Improved Method For Preparing Intermediate Of Dipeptidyl Peptidase-iv Inhibitor DONG A PHARM CO LTD 2014-07-16 CN disclosed
EP-2669265-A2 Improved method for preparing dipeptidyl peptidase-IV inhibitor and intermediate Dong-A Pharmaceutical Co., Ltd. (KR) 2013-12-04 EP disclosed
EP-2669266-A1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate Dong-A Pharmaceutical Co., Ltd. (KR) 2013-12-04 EP disclosed
US-8598347-B2 Method for manufacturing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL. CO., LTD (KR) 2013-12-03 US disclosed
WO-2013104774-A1 PREPARATION OF OPTICALLY PURE ß-AMINO ACID TYPE ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2013-07-18 WO disclosed
EP-2615080-A1 Preparation of Optically Pure ß-Amino Acid Type Active Pharmaceutical Ingredients and Intermediates thereof LEK Pharmaceuticals d.d. (SI) 2013-07-17 EP disclosed
EP-2423178-A1 Process for the production of sitagliptin Chemo Ibérica, S.A. (ES) 2012-02-29 EP 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-20150025241-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 CTRB1 225/4885ITGB3 3106/4885ITGA2B 3920/4885
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 CTRB1 277/4885ITGB3 2261/4885ITGA2B 3257/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 CTRB1 225/4885ITGB3 3106/4885ITGA2B 3920/4885

“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.