SCHEMBL14662575

SCHEMBL14662575

O=C(O)CC(Cc1ccccc1)NC(=O)c1csc(-c2ccccc2Cl)n1.O=C(O)CC(NC(=O)c1csc(-c2ccccc2Cl)n1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.48
CTSA P10619 2/20 0.44
MME P08473 1/20 0.42
FFAR2 O15552 4/20 0.42
PTPN1 P18031 2/20 0.39
HPGDS O60760 1/20 0.38
MAPT P10636 2/20 0.38
SHMT1 P34896 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MMEL1 Q495T6 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14717207 0.92 PIN1 (0.52) PIN1CTSAFFAR2HPGDSMAPT
SCHEMBL14662578 0.91 PIN1 (0.46) PIN1CTSAFFAR2PTPN1HPGDS
SCHEMBL14662703 0.90 PIN1 (0.52) PIN1CTSAMMEHPGDSMAPT
SCHEMBL14717964 0.88 CTSA (0.54) CTSAMMEFFAR2HPGDSMAPT
SCHEMBL14662316 0.87 PIN1 (0.51) PIN1MMEHPGDSMAPTTDP1
SCHEMBL14661878 0.85 PANK3 (0.52) PIN1CTSA
SCHEMBL14661926 0.82 PIN1 (0.67) PIN1HPGDSMAPTTDP1NPY1R
SCHEMBL14661956 0.82 TLR7 (0.48) PIN1CTSA
SCHEMBL14662374 0.82 PIN1 (0.53) PIN1CTSAHPGDS
SCHEMBL14717228 0.82 TLR7 (0.56) CTSAMMEFFAR2HPGDSTDP1

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
EP-2736891-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-06-04 EP claimed
WO-2013014205-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 WO claimed
EP-2736891-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-06-04 EP disclosed
WO-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 WO disclosed
WO-2013014205-A1 SUBSTITUTED 3 - (THIAZOLE - 4 - CARBONYL) - OR 3 - (THIAZOLE - 2 - CARBONYL) AMINOPROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 WO disclosed