SCHEMBL600640

SCHEMBL600640

Cc1c(OCCCO)ccnc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.71
RAB9A P51151 4/20 0.71
NPC1 O15118 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP3A4 P08684 1/20 0.71
KMT2A Q03164 5/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
AR P10275 3/20 0.52
ALDH1A1 P00352 2/20 0.50
DDAH1 O94760 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
IDE P14735 1/20 0.50
HPGD P15428 1/20 0.50
ADRA2B P18089 1/20 0.50
TBXA2R P21731 1/20 0.50

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
SCHEMBL1733368 0.96 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734261 0.96 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1733417 0.96 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734210 0.96 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1734391 0.96 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL1733381 0.96 CYP2C9 (0.68) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL599742 0.95 CYP2C9 (0.72) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL8501937 0.91 CYP2C9 (0.67) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL9906214 0.90 RAB9A (0.76) CYP2C9RAB9ANPC1CYP1A2CYP2D6
SCHEMBL2986625 0.90 RAB9A (0.72) CYP2C9RAB9ANPC1CYP1A2CYP2D6

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270555-B1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA SA (ES) 2004-08-25 EP claimed
US-6603009-B2 Oxidation of a thioether to a sulfoxide using sodium percarbonate and a molybdenum salt as catalyst; making lansoprazole, omeprazole, rabeprazole, and pantoprazole ESTEVE QUIMICA, S.A. (ES) 2003-08-05 US claimed
US-20030028030-A1 Method for oxidizing a thioether group into a sulfoxide group ESTEVE QUIMICA, S.A. (ES) 2003-02-06 US claimed
EP-1270555-A1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA, S.A. (ES) 2003-01-02 EP claimed
WO-2000027841-A1 METHOD OF PREPARING SULFIDE DERIVATIVES DONG-A PHARMACEUTICAL CO., LTD. (KR) 2000-05-18 WO claimed
CN-110003176-B Amide-containing benzimidazole compound and application thereof 沈阳药科大学 2021-12-21 CN disclosed
CN-110003177-B Benzimidazole compound containing carbamido and application thereof 沈阳药科大学 2021-11-19 CN disclosed
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-02-09 US disclosed
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-02-09 US disclosed
US-9314415-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2016-04-19 US disclosed
US-9314415-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2016-04-19 US disclosed
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US disclosed
US-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 EP disclosed
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 US disclosed
EP-0268956-A2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1988-06-01 EP 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 (3 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-20030028030-A1 Method for oxidizing a thioether group into a sulfoxide group CBR1, CBR3, SCO2 CYP2C9 493/4885RAB9A 2297/4885NPC1 1435/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 CYP2C9 2552/4885RAB9A 4499/4885NPC1 3400/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 CYP2C9 2552/4885RAB9A 4499/4885NPC1 3400/4885

“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.