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Sugi Predict / Compounds / SCHEMBL3824562

SCHEMBL3824562

SCHEMBL3824562

CC(c1nc(OC2CCCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.81
▸ NPSR1 Q6W5P4 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GBA1 P04062 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL15790076 0.99 CFTR (0.82) CFTRNPSR1TSHRMAPK1SMN1; SMN2
SCHEMBL3822475 0.91 CFTR (0.81) CFTRNPSR1TSHRMAPK1SMN1; SMN2
SCHEMBL3824415 0.90 CFTR (0.98) CFTRSMN1; SMN2USP2GBA1KDM4E
SCHEMBL29428909 0.89 CFTR (1.00) CFTRSMN1; SMN2HTTGBA1KDM4E
SCHEMBL3822809 0.89 CFTR (1.00) CFTRSMN1; SMN2HTTGBA1KDM4E
SCHEMBL3839480 0.88 CFTR (0.95) CFTRSMN1; SMN2LMNAUSP2GBA1
SCHEMBL3825231 0.84 CFTR (0.87) CFTRSMN1; SMN2LMNAUSP2GBA1
SCHEMBL15457326 0.84 CFTR (0.86) CFTRSMN1; SMN2USP2GBA1KDM4E
SCHEMBL3822320 0.84 CFTR (0.86) CFTRNPSR1TSHRSMN1; SMN2USP2
SCHEMBL3821304 0.81 CFTR (0.80) CFTRSMN1; SMN2LMNAUSP2GBA1

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 1/4885NPSR1 3650/4885TSHR 2495/4885

“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.