SCHEMBL2125779

SCHEMBL2125779

CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)N1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 20/20 0.73

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
Hydrochloric Acid SCHEMBL349001 0.99 SLC10A2 (0.74) SLC10A2
Bromide SCHEMBL6487689 0.99 SLC10A2 (0.72) SLC10A2
SCHEMBL27307421 0.87 SLC10A2 (0.74) SLC10A2
SCHEMBL6843175 0.87 SLC10A2 (0.58) SLC10A2
Maralixibat SCHEMBL10013954 0.85 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL18176641 0.85 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL6336189 0.84 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL2564749 0.84 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL6336186 0.84 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL2564753 0.84 SLC10A2 (1.00) SLC10A2

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
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 SLC10A2 1/4885

“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.