SCHEMBL3594424

SCHEMBL3594424

Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL1326634 0.82 SMPD2 (0.41) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4803088 0.82 KEAP1 (0.38) KEAP1NFE2L2CYP1A2CYP2D6CYP2C19
SCHEMBL1432658 0.82 SMPD2 (0.41) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4803084 0.82 KEAP1 (0.38) KEAP1NFE2L2CYP1A2CYP2D6CYP2C19
SCHEMBL17912379 0.82 KEAP1 (0.38) KEAP1NFE2L2CYP1A2CYP2D6CYP2C19
SCHEMBL29481029 0.82 KEAP1 (0.38) KEAP1NFE2L2CYP1A2CYP2D6CYP2C19
SCHEMBL7229620 0.82 SMPD2 (0.41) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL642839 0.82 SMN1; SMN2 (0.41) MEN1KMT2ANPSR1TRPM8ALDH1A1
SCHEMBL9382586 0.82 SMN1; SMN2 (0.41) MEN1KMT2ANPSR1TRPM8ALDH1A1
SCHEMBL30808724 0.81 PTPN1 (0.36) NPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 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 (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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MTOR, PIK3CA, PIK3CD MEN1 1204/4885PLA2G1B 3449/4885HTT 1668/4885

“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.