SCHEMBL7606167

SCHEMBL7606167

N[C@@H](Cc1ccc(-c2nccs2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
GRIK1 P39086 1/20 0.53
GRIA1 P42261 1/20 0.53
GRIA2 P42262 1/20 0.53
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53
GRIK2 Q13002 1/20 0.53
GRIK3 Q13003 1/20 0.53
GRIK4 Q16099 1/20 0.53
GRIK5 Q16478 1/20 0.53
SLC7A5 Q01650 3/20 0.53
PTGS1 P23219 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
XIAP P98170 1/20 0.51
TPH1 P17752 6/20 0.51
PDPK1 O15530 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ADRB2 P07550 1/20 0.48
GRB2 P62993 1/20 0.46

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
SCHEMBL7606159 1.00 LOXL2 (0.55) LOXL2GRIK1GRIA1GRIA2GRIA3
SCHEMBL2291017 0.92 LTA4H (0.51) LOXL2GRIK1GRIA1GRIA2GRIA3
SCHEMBL2291027 0.92 LTA4H (0.51) LOXL2GRIK1GRIA1GRIA2GRIA3
SCHEMBL14210017 0.86 LOXL2 (0.56) LOXL2GRIK1GRIA1GRIA2GRIA3
SCHEMBL6159998 0.83 ADRB2 (0.50) LOXL2TPH1PDPK1ADRB2FFAR1
SCHEMBL6575622 0.83 ADRB2 (0.50) LOXL2TPH1PDPK1ADRB2FFAR1
Hydrochloric Acid SCHEMBL6159994 0.82 ADRB2 (0.49) LOXL2TPH1PDPK1ADRB2FFAR1
Hydrochloric Acid SCHEMBL6575932 0.82 ADRB2 (0.49) LOXL2TPH1PDPK1ADRB2FFAR1
SCHEMBL17892219 0.81 TPH1 (0.49) LOXL2GRIK1GRIA1GRIA2GRIA3
SCHEMBL17892221 0.81 TPH1 (0.49) LOXL2GRIK1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448408-B1 CHEMICAL INTERMEDIATES IN PREPARATION OF N-MERCAPTOACYL DERIVATIVE OF PHENYLALANINE WITH PHARMALOGICAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 2002-09-10 US disclosed
US-20020028946-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.P.A. (IT) 2002-03-07 US disclosed
EP-0948492-B1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON SPA (IT) 2001-07-11 EP disclosed
EP-0983217-A1 METHOD FOR REMOVING HEAVY METALS FROM ORGANIC COMPOUNDS ZAMBON GROUP S.p.A. (IT) 2000-03-08 EP disclosed
EP-0948492-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.p.A. (IT) 1999-10-13 EP disclosed
WO-1998051647-A1 METHOD FOR REMOVING HEAVY METALS FROM ORGANIC COMPOUNDS ZAMBON GROUP S.P.A. (IT) 1998-11-19 WO disclosed
WO-1998028284-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.P.A. (IT) 1998-07-02 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-20020028946-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES PAH, TYR, CYP2S1 LOXL2 2239/4885GRIK1 1878/4885GRIA1 1059/4885

“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.