SCHEMBL4070313

SCHEMBL4070313

COc1ccc(CC(=O)O)nc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 2/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
PAX8 Q06710 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
CA5A P35218 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
CACNA1G O43497 1/20 0.32

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
SCHEMBL8236816 0.86 KMT2A (0.40) ALDH1A1KDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL8226698 0.85 MTNR1A (0.35) ALDH1A1KDM4EMTNR1AMTNR1BPAX8
SCHEMBL8234275 0.80 PAX8 (0.38) ALDH1A1KDM4EGAAHSD17B10MTNR1A
SCHEMBL17467147 0.79 PAX8 (0.37) ALDH1A1KDM4EGAAMTNR1AMTNR1B
SCHEMBL15587576 0.79 PAX8 (0.37) ALDH1A1KDM4EGAAMTNR1AMTNR1B
SCHEMBL4638852 0.75 PAX8 (0.39) ALDH1A1KDM4EHPGDHSD17B10PAX8
SCHEMBL2844180 0.74 MTNR1A (0.34) ALDH1A1KDM4EGAAHSD17B10MTNR1A
SCHEMBL4064565 0.71 PAX8 (0.34) KDM4EMTNR1AMTNR1BPAX8ITGA4
SCHEMBL15709828 0.70 MEN1 (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL8335994 0.70 KMT2A (0.39) ALDH1A1KDM4EHSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ALDH1A1 1037/4885KDM4E 2385/4885HPGD 2179/4885

“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.