SCHEMBL6159998

SCHEMBL6159998

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LTA4H P09960 1/20 0.42
TPH1 P17752 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
ACACB O00763 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL6575622 1.00 ADRB2 (0.50) ADRB2LOXL2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6159994 0.99 ADRB2 (0.49) ADRB2LOXL2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6575932 0.99 ADRB2 (0.49) ADRB2LOXL2HDAC3HDAC4HDAC1
SCHEMBL7606159 0.83 LOXL2 (0.55) ADRB2LOXL2TPH1ALDH1A1SLC6A3
SCHEMBL7606167 0.83 LOXL2 (0.55) ADRB2LOXL2TPH1ALDH1A1SLC6A3
SCHEMBL7120060 0.81 ALDH1A1 (0.44) ADRB2LOXL2HDAC1HDAC6ALDH1A1
SCHEMBL7057465 0.80 ADRB2 (0.46) ADRB2LOXL2HDAC1HDAC6LTA4H
Hydrochloric Acid SCHEMBL7120057 0.80 ALDH1A1 (0.43) ADRB2LOXL2HDAC1HDAC6ALDH1A1
SCHEMBL2291027 0.80 LTA4H (0.51) LOXL2LTA4HTPH1FFAR1PDPK1
SCHEMBL2291017 0.80 LTA4H (0.51) LOXL2LTA4HTPH1FFAR1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed
EP-1474405-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
EP-0983217-B1 METHOD FOR REMOVING HEAVY METALS FROM ORGANIC COMPOUNDS ZAMBON SPA (IT) 2004-09-01 EP disclosed
WO-2003068725-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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
CN-1071325-C Thiol derivatives having metallopeptidase inhibitory activity ZAMBON SPA (IT) 2001-09-19 CN disclosed
EP-0948492-B1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON SPA (IT) 2001-07-11 EP disclosed
US-6177571-B1 REMOVING HEAVY METALS, SELECTED FROM PALLADIUM, TIN AND NICKEL, FROM HEAVY METAL COMPLEXES WITH THIAZOLE COMPOUNDS IN AQUEOUS OR ALCOHOLIC SOLUTION, BY PRECIPITATION AS SULFIDES ZAMBON GROUP S.P.A. (IT) 2001-01-23 US disclosed
EP-0983217-A1 METHOD FOR REMOVING HEAVY METALS FROM ORGANIC COMPOUNDS ZAMBON GROUP S.p.A. (IT) 2000-03-08 EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed
EP-0948492-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.p.A. (IT) 1999-10-13 EP disclosed
CN-1206411-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON SPA (IT) 1999-01-27 CN disclosed
WO-1998051647-A1 METHOD FOR REMOVING HEAVY METALS FROM ORGANIC COMPOUNDS ZAMBON GROUP S.P.A. (IT) 1998-11-19 WO disclosed
EP-0877740-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1998-11-18 EP disclosed
WO-1998028284-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.P.A. (IT) 1998-07-02 WO disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed
WO-1997024342-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1997-07-10 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 ADRB2 219/4885LOXL2 2239/4885HDAC3 2533/4885

“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.