SCHEMBL3834243

SCHEMBL3834243

COC(=O)[C@@H](N)Cc1ccc(C2=CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
FFAR1 O14842 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ATM Q13315 1/20 0.47
SIGMAR1 Q99720 5/20 0.47
CYP2D6 P10635 1/20 0.45
THPO P40225 1/20 0.45
LMNA P02545 1/20 0.44
PMP22 Q01453 1/20 0.44
DRD2 P14416 1/20 0.44
HDAC4 P56524 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL3836373 0.84 NAMPT (0.51) MAPK1NPSR1PPARGPPARASIGMAR1
SCHEMBL3835485 0.80 QDPR (0.53) MEN1KMT2ATDP1PPARGPPARA
SCHEMBL540023 0.79 DPP4 (0.50) MEN1KMT2A
SCHEMBL540371 0.79 DPP4 (0.50) MEN1KMT2A
Hydrochloric Acid SCHEMBL540024 0.78 DPP4 (0.49) MEN1KMT2A
Hydrochloric Acid SCHEMBL540022 0.78 DPP4 (0.49) MEN1KMT2A
SCHEMBL5369069 0.78 NOS2 (0.51) MEN1KMT2A
SCHEMBL2833 0.78 NOS2 (0.51) MEN1KMT2A
SCHEMBL180100 0.78 NOS2 (0.51) MEN1KMT2A
SCHEMBL3831887 0.78 MMP2 (0.43) NAMPT

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-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
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US 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
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 MAPK1 2101/4885MEN1 3100/4885KMT2A 3683/4885

“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.