SCHEMBL6883706

SCHEMBL6883706

CC(C)(C)c1ccc2nc([S+]([O-])Cc3ccccn3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.54
PDE10A Q9Y233 1/20 0.46
SCN10A Q9Y5Y9 6/20 0.43
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2E1 P05181 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C8 P10632 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2B6 P20813 4/20 0.41
CYP2C19 P33261 4/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL6883703 0.91 METAP2 (0.43) METAP2PDE10ASCN10AKCNH2CYP1A2
SCHEMBL6872821 0.85 CYP1A2 (0.57) METAP2CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6441728 0.83 CYP1A2 (0.41) METAP2CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6872775 0.82 CBFB (0.51) METAP2CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6877250 0.82 METAP2 (0.51) METAP2CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6882801 0.82 CYP1A2 (0.41) METAP2SCN10ACYP1A2CYP2E1CYP3A4
SCHEMBL6440954 0.82 CYP2E1 (0.59) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
Timoprazole SCHEMBL9247237 0.81 CYP1A2 (0.51) METAP2CYP1A2CYP2E1CYP3A4CYP2C8
Timoprazole SCHEMBL464728 0.81 CYP1A2 (0.51) METAP2CYP1A2CYP2E1CYP3A4CYP2C8
Timoprazole SCHEMBL563458 0.81 CYP1A2 (0.51) METAP2CYP1A2CYP2E1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP claimed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US claimed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP claimed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 US claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US disclosed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 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 (2 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-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 METAP2 1609/4885PDE10A 2296/4885SCN10A 1383/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 METAP2 127/4885PDE10A 2161/4885SCN10A 2653/4885

“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.