SCHEMBL3835804

SCHEMBL3835804

COC(=O)[C@@H](N)Cc1ccc(C2=CCN(C(=O)c3csc(C)n3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.38
NAMPT P43490 5/20 0.37
QDPR P09417 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL3834847 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2L3MBTL1NAMPTMAPT
SCHEMBL3835485 0.81 QDPR (0.53) ALDH1A1SMN1; SMN2KCNH2PTGS2NAMPT
SCHEMBL3836373 0.78 NAMPT (0.51) ALDH1A1SMN1; SMN2NAMPTMAPT
SCHEMBL4153497 0.77 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2GRM5L3MBTL1
SCHEMBL3831967 0.77 NAMPT (0.46) ALDH1A1NAMPTQDPR
SCHEMBL3834877 0.76 HRH4 (0.45)
SCHEMBL3837172 0.76 DPP4 (0.46) SMN1; SMN2NAMPT
SCHEMBL4142541 0.76 ITGA4 (0.42)
SCHEMBL3822163 0.76 AKT1 (0.43) ALDH1A1SMN1; SMN2CHRM2L3MBTL1NAMPT
SCHEMBL3834475 0.75 NAMPT (0.54) ALDH1A1SMN1; SMN2NAMPTKMT2AMAPT

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-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 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-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ALDH1A1 1156/4885SMN1; SMN2 2699/4885GRM5 1080/4885

“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.