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SCHEMBL3825565

SCHEMBL3825565

COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(OC4CCCC4)c4cc(F)ccc4n3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.79
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GBA1 P04062 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 2/20 0.41
▸ PKLR P30613 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.39

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
SCHEMBL3821097 0.99 CFTR (0.80) CFTRSMN1; SMN2MAPTGBA1PDE4B
SCHEMBL3824415 0.89 CFTR (0.98) CFTRSMN1; SMN2MAPTGBA1PDE4B
SCHEMBL29428909 0.88 CFTR (1.00) CFTRSMN1; SMN2MAPTGBA1KDM4E
SCHEMBL3822809 0.88 CFTR (1.00) CFTRSMN1; SMN2MAPTGBA1KDM4E
SCHEMBL3839480 0.87 CFTR (0.95) CFTRSMN1; SMN2MAPTGBA1KDM4E
SCHEMBL3819492 0.84 CFTR (0.60) CFTRMAPTGBA1KDM4EGAA
SCHEMBL3825231 0.83 CFTR (0.87) CFTRSMN1; SMN2MAPTGBA1KDM4E
SCHEMBL3822320 0.83 CFTR (0.86) CFTRSMN1; SMN2MAPTGBA1KDM4E
SCHEMBL15457326 0.83 CFTR (0.86) CFTRSMN1; SMN2MAPTGBA1KDM4E
SCHEMBL3821547 0.82 CFTR (0.57) CFTRMAPTGBA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
US-8642609-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-04 — — US disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 — — EP disclosed
EP-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 — — EP disclosed
US-20050059687-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-03-17 — — US 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-20050059687-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885SMN1; SMN2 4840/4885MAPT 4347/4885

“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.