SCHEMBL4244018

SCHEMBL4244018

CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 4/20 0.35
GPR119 Q8TDV5 4/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4253538 0.83 GPR119 (0.35) ALDH1A1KDM4EGPR119
SCHEMBL4243711 0.81 GPR119 (0.43) GPR119
SCHEMBL861136 0.79 L3MBTL1 (0.40) L3MBTL1TP53ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5847969 0.79 L3MBTL1 (0.40) L3MBTL1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL8326067 0.78 MAPT (0.42) L3MBTL1TP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL31444879 0.78 STS (0.40) L3MBTL1POLBALDH1A1LMNAMEN1
SCHEMBL4063805 0.78 L3MBTL1 (0.39) L3MBTL1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL6265826 0.77 L3MBTL1 (0.40) L3MBTL1TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL6327028 0.77 L3MBTL1 (0.38) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL860569 0.75 L3MBTL1 (0.36) L3MBTL1TP53ALDH1A1SMN1; SMN2KDM4E

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 6 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
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US 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
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 L3MBTL1 432/4885TP53 916/4885POLB 2125/4885

“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.