SCHEMBL7605461

SCHEMBL7605461

N[C@@H](Cc1ccc(-c2cncnc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.57
PTGS1 P23219 3/20 0.56
PKM P14618 2/20 0.56
ALPI P09923 1/20 0.56
XIAP P98170 1/20 0.56
HSD17B10 Q99714 2/20 0.51
TPH1 P17752 6/20 0.50
GRB2 P62993 1/20 0.49
ALOX15 P16050 3/20 0.49
HIF1A Q16665 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL7234554 1.00 SLC7A5 (0.57) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL156189 0.86 SLC7A5 (0.74) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL837014 0.86 SLC7A5 (0.74) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL31398347 0.83 SLC7A5 (0.61) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL353300 0.83 SLC7A5 (0.56) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL21690091 0.83 SLC7A5 (0.56) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL7606896 0.83 SLC7A5 (0.56) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL13585683 0.83 SLC7A5 (0.57) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL5302993 0.83 SLC7A5 (0.57) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL7262990 0.82 ALDH1A1 (0.44) TPH1PTGS2ALDH1A1

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 5 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-0948492-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.p.A. (IT) 1999-10-13 EP 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 SLC7A5 51/4885PTGS1 1682/4885PKM 176/4885

“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.