SCHEMBL6883703

SCHEMBL6883703

CC(C)(C)c1ccc2[nH]c([S+]([O-])Cc3ccccn3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PDE10A Q9Y233 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2E1 P05181 4/20 0.35
CYP2C8 P10632 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2B6 P20813 4/20 0.35
CYP2C19 P33261 4/20 0.35
KIF11 P52732 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 3/20 0.34
SCN10A Q9Y5Y9 3/20 0.33

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
SCHEMBL6883706 0.91 METAP2 (0.54) METAP2ALDH1A1NPC1RAB9APDE10A
SCHEMBL6872820 0.85 CYP1A2 (0.46) METAP2ALDH1A1NPC1RAB9APOLB
SCHEMBL6441721 0.83 TRPC5 (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6877256 0.82 ALDH1A1 (0.40) METAP2ALDH1A1NPC1RAB9AMEN1
SCHEMBL6440386 0.82 CBFB (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6440949 0.82 CYP1A2 (0.48) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6882797 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9APOLBCYP1A2
Timoprazole SCHEMBL9247237 0.81 CYP1A2 (0.51) METAP2ALDH1A1NPC1RAB9ANPSR1
Timoprazole SCHEMBL563458 0.81 CYP1A2 (0.51) METAP2ALDH1A1NPC1RAB9ANPSR1
Timoprazole SCHEMBL464728 0.81 CYP1A2 (0.51) METAP2ALDH1A1NPC1RAB9ANPSR1

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 1609/4885ALDH1A1 998/4885NPC1 646/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 METAP2 127/4885ALDH1A1 3414/4885NPC1 1315/4885

“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.