SCHEMBL4072992

SCHEMBL4072992

CCC(O)Cc1cccc(N(C)C(=O)O)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HCAR3 P49019 1/20 0.32
PTPRA P18433 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
PTGER2 P43116 1/20 0.31
ACACB O00763 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LTB4R Q15722 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HPGD P15428 1/20 0.31
ADORA1 P30542 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4065110 0.79 NPSR1 (0.36) PTGER2NPSR1
SCHEMBL4073680 0.77 NPSR1 (0.35) PTGER2NPSR1
SCHEMBL4064831 0.76 PDE10A (0.38) ITGB1ITGA5PTGER2ACACBNPSR1
SCHEMBL4072739 0.74 HSD17B10 (0.34) ALDH1A1ITGB1ITGA5PTGER2NPSR1
SCHEMBL4072991 0.72 NPSR1 (0.53) ALDH1A1LMNAGAAPKMNPSR1
SCHEMBL4071519 0.72 KCNH2 (0.40) ITGB1ITGA5NPSR1LTB4RHCRTR1
SCHEMBL4069788 0.72 CTSD (0.33) NPSR1
SCHEMBL16416008 0.72 HSD17B14 (0.36) ALDH1A1
SCHEMBL4928262 0.71 NPSR1 (0.34) ITGB1ITGA5NPSR1
SCHEMBL15174120 0.70 RAB9A (0.43)

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 1037/4885LMNA 1702/4885GAA 2204/4885

“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.