SCHEMBL3377470

SCHEMBL3377470

CC(C)CN(C)c1ccccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 3/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BCHE P06276 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL6483534 0.85 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL9693793 0.84 TP53 (0.60) RAB9ANPC1SMN1; SMN2POLBHPGD
SCHEMBL10869688 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2POLBHPGD
SCHEMBL9678752 0.80 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL9678412 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL9675826 0.76 NPC1 (0.53) RAB9ANPC1SMN1; SMN2POLBHPGD
Leminoprazole SCHEMBL29895760 0.74 ATP4A (0.39) RAB9ANPC1SMN1; SMN2POLBALDH1A1
Leminoprazole SCHEMBL143740 0.74 ATP4A (0.39) RAB9ANPC1SMN1; SMN2POLBALDH1A1
Leminoprazole SCHEMBL143739 0.74 ATP4A (0.39) RAB9ANPC1SMN1; SMN2POLBALDH1A1
Leminoprazole SCHEMBL19086179 0.74 ATP4A (0.38) RAB9ANPC1SMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000027841-A1 METHOD OF PREPARING SULFIDE DERIVATIVES DONG-A PHARMACEUTICAL CO., LTD. (KR) 2000-05-18 WO claimed
US-9631181-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2017-04-25 US disclosed
US-20160319252-A1 SYNTHESIS OF PRAZOLE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-11-03 US disclosed
US-9422534-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2016-08-23 US disclosed
US-20160076008-A1 SYNTHESIS OF PRAZOLE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-03-17 US disclosed
WO-2011071982-A2 SYNTHESIS OF PRAZOLE COMPOUNDS CODEXIS, INC. (US) 2011-06-16 WO disclosed
EP-2275139-A1 Oral pharmaceutical dosage forms comprising a proton pump inhibitor and a NSAID AstraZeneca AB (SE) 2011-01-19 EP disclosed
EP-0773940-B2 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-1427392-B1 NEW SELF EMULSIFYING DRUG DELIVERY SYSTEM NICOX SA (FR) 2008-02-20 EP disclosed
EP-0773940-B1 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES ASTRAZENECA AB (SE) 2003-06-04 EP disclosed
WO-2000027841-A1 METHOD OF PREPARING SULFIDE DERIVATIVES DONG-A PHARMACEUTICAL CO., LTD. (KR) 2000-05-18 WO disclosed
US-5948789-A ASYMMETRIC OXIDATION OF A PRO-CHIRAL SULPHIDE TO THE SINGLE ENANTIOMERS OR AN ENANTIOMERICALLY ENRICHED FORM OF THE CORRESPONDING SULPHOXIDE. OPTICALLY PURE SUBSTITUTED 2-(2-PYRIDINYLMETHYL-SULPHINYL)-1H-BENZIMIDAZOLES. ASTRA AKTIEBOLAG (SE) 1999-09-07 US disclosed
EP-0773940-A1 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES Astra Aktiebolag (SE) 1997-05-21 EP disclosed
WO-1996002535-A1 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES ASTRA AKTIEBOLAG (SE) 1996-02-01 WO disclosed