SCHEMBL1655302

SCHEMBL1655302

CC(C)CC(NCC(C(=O)O)c1csc(-c2ccccc2)n1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.62
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE5A O76074 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.41
PIN1 Q13526 1/20 0.40
HPGDS O60760 1/20 0.40
MME P08473 1/20 0.40
GRN P28799 1/20 0.40

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
SCHEMBL7425252 0.93 CTSK (0.54) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL7417883 0.90 CTSK (0.55) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL7421947 0.89 CTSK (0.56) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL4713366 0.87 CTSK (0.70) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL7426736 0.87 CTSK (0.48) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL7422285 0.86 CTSK (0.47) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL7420772 0.86 ALDH1A1 (0.51) CTSKSMN1; SMN2KDM4EMAPTHTT
SCHEMBL7428686 0.85 CTSK (0.56) CTSKLDHALDHBSMN1; SMN2KDM4E
SCHEMBL7382345 0.83 CTSK (0.41) CTSKSMN1; SMN2MAPTHTTMEN1
SCHEMBL7422935 0.80 PLA2G10 (0.53) CTSKSMN1; SMN2KDM4EKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011513491-A 2011-04-28 JP claimed
EP-2262491-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2010-12-22 EP claimed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO claimed
WO-2009114516-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2009-09-17 WO claimed
JP-2002543120-A 2002-12-17 JP claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO claimed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO disclosed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed