Sugi Predict

Sugi Predict / Compounds / SCHEMBL4063805

SCHEMBL4063805

SCHEMBL4063805

CCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)C(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.36
▸ PDK1 Q15118 2/20 0.35
▸ PDK2 Q15119 2/20 0.35
▸ PDK3 Q15120 2/20 0.35
▸ PDK4 Q16654 2/20 0.35
▸ ALDH1A1 P00352 8/20 0.34
▸ HPGD P15428 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RECQL P46063 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL15758490 0.85 HTR2A (0.42) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL15758320 0.83 PDK1 (0.37) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4247148 0.83 PDK1 (0.36) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4242528 0.81 PDK1 (0.39) PDK1PDK2PDK3PDK4ESR2
SCHEMBL861136 0.81 L3MBTL1 (0.40) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21774653 0.78 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL21767554 0.78 PDK1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4244018 0.78 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1HPGDMEN1
SCHEMBL860569 0.77 L3MBTL1 (0.36) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15758101 0.76 PDK1 (0.39) PDK1PDK2PDK3PDK4ESR2

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 432/4885KDM4E 2385/4885PDK1 1677/4885

“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.