SCHEMBL5790692

SCHEMBL5790692

CS(=O)(=O)N[C@@H]([C]=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NR3C1 P04150 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
SLC18A2 Q05940 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
CTSC P53634 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA2 P00918 1/20 0.38
CA7 P43166 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
SCHEMBL2917309 1.00 POLB (0.41) POLBNR3C1CTSLCTSSCTSK
SCHEMBL2917307 1.00 POLB (0.41) POLBNR3C1CTSLCTSSCTSK
SCHEMBL7372550 0.85 MEN1 (0.41) CTSLCTSSCTSKPTGES2TAAR1
SCHEMBL7085022 0.81 CA1 (0.49) CTSCMEN1KMT2ACA2
SCHEMBL4541620 0.79 CA2 (0.61) POLBCTSLCTSSCTSKMEN1
SCHEMBL4541622 0.79 CA2 (0.61) POLBCTSLCTSSCTSKMEN1
SCHEMBL1310109 0.78 TAAR1 (0.53) TAAR1SLC18A2SIGMAR1CTSCMEN1
SCHEMBL6852331 0.78 TAAR1 (0.53) TAAR1SLC18A2SIGMAR1CTSCMEN1
SCHEMBL1086155 0.78 TAAR1 (0.53) TAAR1SLC18A2SIGMAR1CTSCMEN1
SCHEMBL12204083 0.77 SIGMAR1 (0.57) TAAR1SLC18A2SIGMAR1MEN1KMT2A

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
WO-2006014253-A2 FACTOR VIIA VARIANTS GENENTECH, INC. (US) 2006-02-09 WO disclosed
EP-0772590-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
US-5744487-A PROTEASE INHIBITORS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-04-28 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5714485-A Piperidine and hexahydropyridazine thrombin inhibitors MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5510369-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0669317-A1 Prolineamide derivatives Mitsubishi Chemical Corporation (JP) 1995-08-30 EP disclosed