Sugi Predict

Sugi Predict / Compounds / SCHEMBL4783570

SCHEMBL4783570

SCHEMBL4783570

Cc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 11/20 0.41
▸ ATP4B P51164 11/20 0.41
▸ ATP1A1 P05023 7/20 0.41
▸ ATP1B1 P05026 7/20 0.41
▸ ATP1A3 P13637 7/20 0.41
▸ ATP1B2 P14415 7/20 0.41
▸ ATP1A2 P50993 7/20 0.41
▸ ATP1B3 P54709 7/20 0.41
▸ FXYD2 P54710 7/20 0.41
▸ ATP1A4 Q13733 7/20 0.41
▸ WDR5 P61964 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ DDAH1 O94760 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL12204874 0.89 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988479 0.89 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL2743026 0.89 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988292 0.89 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL15217973 0.89 ATP4A (0.37) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9528109 0.88 CYP3A4 (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988382 0.86 CYP3A4 (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988363 0.86 CYP3A4 (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988459 0.86 CYP3A4 (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL4980099 0.85 WDR5 (0.57) 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-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. 2008-12-11 — — US disclosed
EP-1954691-A2 AMORPHOUS AND CRYSTALLINE FORMS OF PANTOPRAZOLE MAGNESIUM SALT Teva Pharmaceutical Industries Ltd (IL) 2008-08-13 — — EP disclosed
US-20080139623-A1 Amorphous and crystalline forms of pantoprazole magnesium salt TEVA PHARMACEUTICALS USA, INC 2008-06-12 — — US disclosed
WO-2007146341-A2 AMORPHOUS AND CRYSTALLINE FORMS OF PANTOPRAZOLE MAGNESIUM SALT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-21 — — WO disclosed
WO-1996017607-A1 METHOD OF PRODUCING A PANTOPRAZOL LYOPHILISATE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-06-13 — — WO 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-20080306258-A1 Cyclopropane compounds and pharmaceutical use thereof MMP13, MMP9, MMP11 ATP4A 2110/4885ATP4B 2327/4885ATP1A1 1502/4885
US-20080139623-A1 Amorphous and crystalline forms of pantoprazole magnesium salt SLC34A3, ATP1B3, PRPF31 ATP4A 122/4885ATP4B 130/4885ATP1A1 253/4885

“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.