SCHEMBL5516754

SCHEMBL5516754

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

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35

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
SCHEMBL3766237 0.81 DPP4 (0.39) DPP4
SCHEMBL1336381 0.77 DPP4 (0.36) DPP4
SCHEMBL7241497 0.77 DPP4 (0.36) DPP4
SCHEMBL25101420 0.75 DPP4 (0.35) DPP4
SCHEMBL1898374 0.75 DPP4 (0.39) DPP4
Bicarbonate SCHEMBL11385004 0.75 DPP4 (0.35) DPP4
SCHEMBL25101250 0.73 DPP4 (0.33) DPP4
SCHEMBL8049516 0.70 DPP4 (0.34) DPP4
SCHEMBL7701354 0.69 MEN1 (0.40)
SCHEMBL6646247 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-02-02 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 US disclosed
WO-1998033765-A1 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO disclosed
US-4946867-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 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 (2 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-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 DPP4 3426/4885
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 DPP4 3243/4885

“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.