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Sugi Predict / Compounds / SCHEMBL3823980

SCHEMBL3823980

SCHEMBL3823980

CCN(CC)c1nc(C(C)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.51
▸ GBA1 P04062 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACP1 P24666 1/20 0.38

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
SCHEMBL5804966 1.00 CFTR (0.51) CFTRGBA1L3MBTL1MAPTMEN1
SCHEMBL3819261 0.91 CFTR (0.51) CFTRGBA1L3MBTL1MAPTMEN1
SCHEMBL3823336 0.89 CFTR (0.53) CFTRGBA1L3MBTL1MAPTLMNA
SCHEMBL5807199 0.89 CFTR (0.53) CFTRGBA1L3MBTL1MAPTLMNA
SCHEMBL3824792 0.89 CFTR (0.65) CFTRGBA1KMT2ALMNAPKM
SCHEMBL3822709 0.83 CFTR (0.59) CFTRGBA1L3MBTL1MAPTMEN1
SCHEMBL3824263 0.83 CFTR (0.51) CFTRGBA1L3MBTL1MAPTMEN1
SCHEMBL3816459 0.83 CFTR (0.52) CFTRGBA1L3MBTL1MAPTMEN1
SCHEMBL3816463 0.82 CFTR (0.53) CFTRGBA1L3MBTL1MAPTPDE5A
SCHEMBL13724387 0.82 CFTR (0.67) CFTRGBA1L3MBTL1MAPTLMNA

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 1/4885GBA1 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.