Sugi Predict

Sugi Predict / Compounds / SCHEMBL6884528

SCHEMBL6884528

SCHEMBL6884528

COc1cnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c(C)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 13/20 0.57
▸ ATP4B P51164 13/20 0.57
▸ ATP1A1 P05023 9/20 0.57
▸ ATP1B1 P05026 9/20 0.57
▸ ATP1A3 P13637 9/20 0.57
▸ ATP1B2 P14415 9/20 0.57
▸ ATP1A2 P50993 9/20 0.57
▸ ATP1B3 P54709 9/20 0.57
▸ FXYD2 P54710 9/20 0.57
▸ ATP1A4 Q13733 9/20 0.57
▸ RUNX1 Q01196 2/20 0.34
▸ BRS3 P32247 2/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ WDR5 P61964 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ DDAH1 O94760 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ CYP3A4 P08684 2/20 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
SCHEMBL9528700 0.92 ATP4A (0.47) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6453694 0.92 ATP4A (0.47) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10370978 0.91 ATP4A (0.48) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10373685 0.91 ATP4A (0.48) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6879493 0.90 ATP4A (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6882490 0.90 ATP4A (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL18116602 0.88 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9526343 0.88 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6873282 0.88 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6458260 0.88 ATP4A (0.56) ATP4AATP4BATP1A1ATP1B1ATP1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 — — US disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 — — EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 — — US disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 — — 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 ATP4A 298/4885ATP4B 428/4885ATP1A1 318/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 ATP4A 1229/4885ATP4B 990/4885ATP1A1 958/4885

“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.