SCHEMBL6467966

SCHEMBL6467966

CCOc1cccc(NC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM4 Q8TD43 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6467157 0.89 PTPN1 (0.47) CYP2C19POLBTSHRKMT2AKDM4E
SCHEMBL3986627 0.85 CA12 (0.56) GAAKMT2AL3MBTL1KDM4EMAPT
SCHEMBL5655945 0.85 GAA (0.63) GAACYP2C19POLBEGFRTSHR
SCHEMBL29991286 0.85 GAA (0.63) GAACYP2C19POLBEGFRTSHR
SCHEMBL15440468 0.80 LMNA (0.49) CYP2C19POLBTSHRKMT2AL3MBTL1
SCHEMBL3984461 0.79 KDM4E (0.51) POLBKMT2AKDM4ETRPM4
SCHEMBL29106089 0.79 CA12 (0.47) POLB
SCHEMBL30505232 0.79 MEN1 (0.48) GAAPOLBKMT2AL3MBTL1KDM4E
SCHEMBL3986856 0.78 PBRM1 (0.49) KMT2AL3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL17047591 0.76 TSHR (0.52) GAAPOLBTSHRKMT2AP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB GAA 232/4885CYP2C19 1512/4885POLB 3/4885

“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.