SCHEMBL3833335

SCHEMBL3833335

COc1cc(C#N)ccc1C(=O)N[C@@H](Cc1ccc(C2=CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.42
HTR2B P41595 1/20 0.40
PDE10A Q9Y233 3/20 0.39
ITGB3 P05106 3/20 0.38
ITGAV P06756 3/20 0.38
ITGB1 P05556 2/20 0.37
ITGA5 P08648 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 1/20 0.37
TSHR P16473 1/20 0.37
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3834913 0.87 PIN1 (0.42) PIN1PDE10AITGB1ITGA5KDM4E
SCHEMBL3829591 0.80 ITGA4 (0.49) ITGB1ITGA5
SCHEMBL3835224 0.79 ITGB1 (0.53) ITGAVITGB1ITGA5
SCHEMBL3836591 0.79 ITGB1 (0.40) PIN1ITGAVITGB1ITGA5
SCHEMBL3831720 0.78 ITGB1 (0.48) ITGB1ITGA5
SCHEMBL3834877 0.75 HRH4 (0.45) PDE10ADRD3
SCHEMBL4208543 0.73 ITGB1 (0.43) ITGB3ITGAVITGB1ITGA5
SCHEMBL4221351 0.71 ITGB1 (0.45) PIN1PDE10AITGB3ITGAVITGB1
SCHEMBL3837141 0.71 ITGA4 (0.51) ITGB1ITGA5
SCHEMBL3831658 0.70 L3MBTL1 (0.49) ITGB3ITGAVITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US claimed
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 PIN1 3139/4885HTR2B 759/4885PDE10A 2400/4885

“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.