SCHEMBL9528191

SCHEMBL9528191

CCOc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.38
ATP4B P51164 7/20 0.38
ATP1A1 P05023 6/20 0.38
ATP1B1 P05026 6/20 0.38
ATP1A3 P13637 6/20 0.38
ATP1B2 P14415 6/20 0.38
ATP1A2 P50993 6/20 0.38
ATP1B3 P54709 6/20 0.38
FXYD2 P54710 6/20 0.38
ATP1A4 Q13733 6/20 0.38
RUNX1 Q01196 5/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 4/20 0.35
WDR5 P61964 3/20 0.35

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
SCHEMBL9531482 0.92 ATP4A (0.36) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527251 0.92 ATP4A (0.47) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988515 0.92 NPC1 (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988597 0.92 NPC1 (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988272 0.92 NPC1 (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988517 0.92 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527017 0.92 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988513 0.92 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10999579 0.91 ATP4A (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527416 0.90 ATP4A (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 US disclosed
EP-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 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 (1 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-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ATP4A 4581/4885ATP4B 4629/4885ATP1A1 4691/4885

“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.