SCHEMBL6170897

SCHEMBL6170897

N[C@@H](Cc1ccc(-c2cccs2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.58
PPARA Q07869 2/20 0.58
SLC7A5 Q01650 3/20 0.57
PTGS1 P23219 3/20 0.57
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
XIAP P98170 1/20 0.57
LTA4H P09960 1/20 0.56
HPGDS O60760 1/20 0.53
GRIA2 P42262 1/20 0.48
TPH1 P17752 1/20 0.47
GRB2 P62993 1/20 0.47
HIF1A Q16665 3/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 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
SCHEMBL7609597 1.00 PPARG (0.58) PPARGPPARASLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL7309860 0.98 PPARG (0.56) PPARGPPARASLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL7309851 0.98 PPARG (0.56) PPARGPPARASLC7A5PTGS1ALPI
SCHEMBL14210015 0.86 PPARG (0.62) PPARGPPARALTA4HHPGDSCYP17A1
SCHEMBL5783465 0.83 HDAC1 (0.57) PPARGPPARALTA4HHPGDSCYP17A1
Hydrochloric Acid SCHEMBL6165154 0.82 HDAC1 (0.56) PPARGPPARALTA4HHPGDSCYP17A1
Hydrochloric Acid SCHEMBL27447905 0.81 HDAC1 (0.48) PPARGPPARALTA4HHPGDSTPH1
SCHEMBL20474609 0.81 HDAC1 (0.52) PPARGPPARALTA4HHPGDSHDAC1
SCHEMBL18554074 0.81 HDAC1 (0.52) PPARGPPARALTA4HHPGDSHDAC1
SCHEMBL19112030 0.81 PPARG (0.56) PPARGPPARALTA4HHPGDSCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
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
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1998028284-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.P.A. (IT) 1998-07-02 WO disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 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 PPARG 2677/4885PPARA 2456/4885SLC7A5 51/4885

“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.