SCHEMBL7053316

SCHEMBL7053316

C=CC(C)(C)C(C#N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34

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
SCHEMBL9638700 0.76
SCHEMBL9796768 0.76 ALDH1A1 (0.38) DPP4
SCHEMBL1336381 0.75 DPP4 (0.36) DPP4
Bicarbonate SCHEMBL11385004 0.73 DPP4 (0.35) DPP4
SCHEMBL11120681 0.71 ALDH1A1 (0.33) DPP4
SCHEMBL19391257 0.71 DPP4 (0.31) DPP4
SCHEMBL10962327 0.70 ALDH1A1 (0.32)
SCHEMBL2010918 0.70 DPP4 (0.33) DPP4
SCHEMBL29956950 0.70 ALDH1A1 (0.33)
SCHEMBL2010922 0.70 DPP4 (0.33) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970044-B1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AG (DE) 2003-05-07 EP disclosed
US-6410486-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use WETTERICH FRANK (DE) 2002-02-14 US disclosed
US-6265447-B1 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
EP-0970044-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041499-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-4946867-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 US disclosed
EP-0119899-B1 PROCESS FOR THE PREPARATION OF 4-PENTENOIC ACID DERIVATIVES ROUSSEL-UCLAF (FR) 1986-03-05 EP disclosed
EP-0119899-A1 Process for the preparation of 4-pentenoic acid derivatives ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed
EP-0064781-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPANE COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-05-23 EP disclosed
EP-0064781-A1 Process for the preparation of cyclopropane compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-11-17 EP disclosed
EP-0003857-B1 PREPARATION OF 2-CYANOHEXANOIC ACID DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-03-10 EP disclosed
US-4174347-A ALKENYL CYANOACETATES FORMED IN THE PRESENCE OF AN ONIUM PHASE TRANSFER CATALYST SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1979-11-13 US disclosed
US-4169105-A FROM CYANOACETIC ACID AND AN ALLYLIC HALIDE, ACID ACCEPTOR SHELL OIL COMPANY (US) 1979-09-25 US disclosed
EP-0003857-A1 Preparation of 2-cyanohexanoic acid derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-09-05 EP 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-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use CBR3, CYCS, CBR1 DPP4 4508/4885

“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.