SCHEMBL17102154

SCHEMBL17102154

C#CCC(C(=O)c1cc(F)ccc1F)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
MDM2 Q00987 11/20 0.36
RIPK1 Q13546 1/20 0.33
ANO1 Q5XXA6 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
SCHEMBL28062609 0.86 POLB (0.31)
SCHEMBL17865487 0.81 CES2 (0.40) CES2CES1MDM2RIPK1
SCHEMBL28037292 0.75 CES2 (0.36) CES2CES1RIPK1
SCHEMBL28037291 0.75 CES2 (0.36) CES2CES1RIPK1
SCHEMBL15524582 0.71 CES2 (0.44) CES2CES1MDM2
SCHEMBL30939744 0.71 CES2 (0.44) CES2CES1MDM2
SCHEMBL18852418 0.70 CES2 (0.47) CES2CES1MDM2
SCHEMBL12761889 0.70 CTSS (0.45) CES2CES1
SCHEMBL17102135 0.70 CES2 (0.39) CES2CES1MDM2ANO1
SCHEMBL30589585 0.70 CTSS (0.45) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632349-B The hydrate and its preparation and application of the salt of pyran derivate or its salt 海思科医药集团股份有限公司 2019-05-28 CN disclosed
CN-105085530-B Ternary condenses cyclosubstituted amino hexatomic ring analog derivative and its application in medicine 四川海思科制药有限公司 2019-01-04 CN disclosed
CN-105294694-B Amino hexatomic ring analog derivative and its application in medicine 四川海思科制药有限公司 2019-01-04 CN disclosed
CN-105518008-B Amino pyrans ring derivatives and combinations thereof and application 海思科医药集团股份有限公司 2018-03-27 CN disclosed
CN-105531277-B Pyrrolo-imidazole ring derivatives and their use in medicine 四川海思科制药有限公司 2018-03-02 CN disclosed
CN-106632349-A Pyran derivative salts or hydrates thereof, and preparation and applications of the salts and the hydrates 四川海思科制药有限公司 2017-05-10 CN disclosed
US-9481680-B2 Process for the preparation of key intermediates of omarigliptin F.I.S.—FABBRICA ITALIANA SINTETICI S.P.A (IT) 2016-11-01 US disclosed
US-20160200727-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN F.I.S.- FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2016-07-14 US disclosed
EP-2997008-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN ITALIANA SINT SPA (IT) 2016-06-29 EP disclosed
CN-105531277-A Pyrrolo-imidazole ring derivatives and their use in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-04-27 CN disclosed
CN-105518008-A Amino pyranoid ring derivative and composition and use thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-04-20 CN disclosed
EP-2997008-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2016-03-23 EP disclosed
CN-105294694-A Amino hexatomic ring derivative and application thereof to medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-02-03 CN disclosed
CN-105085530-A Fused tricyclic substituted amino six-membered ring derivative and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-25 CN disclosed
CN-105037367-A Amino six-membered ring derivative and application thereof in medicines SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-11 CN disclosed
WO-2015139859-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2015-09-24 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 (1 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-20160200727-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES OF OMARIGLIPTIN SI, OSTC, VIP CES2 3492/4885CES1 811/4885MDM2 2250/4885

“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.