Sugi Predict

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SCHEMBL3822709

SCHEMBL3822709

CCOc1nc(C(C)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.59
▸ GBA1 P04062 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GPR183 P32249 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3821299 0.93 CFTR (0.58) CFTRGBA1L3MBTL1KMT2AMAPT
SCHEMBL3820205 0.90 CFTR (0.73) CFTRGBA1L3MBTL1KMT2AGAA
SCHEMBL13724387 0.89 CFTR (0.67) CFTRGBA1L3MBTL1MAPTHTT
SCHEMBL3821009 0.89 CFTR (0.61) CFTRGBA1L3MBTL1MAPTHTT
SCHEMBL3822475 0.85 CFTR (0.81) CFTRGBA1L3MBTL1KMT2AMAPT
SCHEMBL5804966 0.83 CFTR (0.51) CFTRGBA1L3MBTL1KMT2AMAPT
SCHEMBL3824263 0.83 CFTR (0.51) CFTRGBA1L3MBTL1KMT2AMAPT
SCHEMBL3823980 0.83 CFTR (0.51) CFTRGBA1L3MBTL1KMT2AMAPT
SCHEMBL3816459 0.83 CFTR (0.52) CFTRGBA1L3MBTL1KMT2AMAPT
SCHEMBL3818987 0.83 CFTR (0.71) CFTRGBA1KMT2AALDH1A1HTT

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 8 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
EP-1646615-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-04-19 — — EP disclosed
US-20050059687-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-03-17 — — US disclosed
WO-2004111014-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-23 — — 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 (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 1/4885GBA1 575/4885L3MBTL1 3800/4885

“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.