SCHEMBL6177591

SCHEMBL6177591

C=Cc1ccc(N(C)C(=O)OC(C)(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.35
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SSTR4 P31391 1/20 0.32
HCAR3 P49019 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 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
SCHEMBL29962184 0.83 MIF (0.39) MIFKCNH2
SCHEMBL19304337 0.83 P4HTM (0.47) ALDH1A1CKS1BSKP1SKP2RAB9A
SCHEMBL19304338 0.83 TTK (0.34) TTKPAX8ALDH1A1CKS1BSKP1
SCHEMBL20037705 0.80 TTK (0.39) TTKPAX8ALDH1A1CKS1BSKP1
SCHEMBL26921931 0.79 PAX8 (0.40) TTKPAX8CKS1BSKP1SKP2
SCHEMBL7947783 0.79 CA12 (0.48) RAB9ANPC1MAPT
SCHEMBL6431897 0.79 CA12 (0.48) RAB9ANPC1MAPT
SCHEMBL989173 0.78 TTK (0.37) TTKPAX8ALDH1A1CKS1BSKP1
SCHEMBL56808 0.78 TTK (0.37) TTKPAX8ALDH1A1CKS1BSKP1
SCHEMBL1181429 0.78 GBA1 (0.42) TTKPAX8ALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR TTK 4619/4885PAX8 3280/4885ALDH1A1 2759/4885

“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.