SCHEMBL3820111

SCHEMBL3820111

COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(N(C)Cc4ccccc4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.64
LMNA P02545 2/20 0.48
GBA1 P04062 5/20 0.48
PKM P14618 5/20 0.46
CHRM5 P08912 1/20 0.45
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
PKLR P30613 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3818773 0.89 CFTR (0.68) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL3824792 0.87 CFTR (0.65) CFTRLMNAGBA1PKMCHRM5
SCHEMBL13723633 0.86 CFTR (0.60) CFTRLMNAGBA1PKMCHRM5
SCHEMBL3820107 0.83 CFTR (0.62) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL3824104 0.82 CFTR (0.80) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL3818996 0.82 CFTR (0.63) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL3816483 0.82 CFTR (0.70) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL3824055 0.82 CFTR (0.70) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL3820105 0.81 CFTR (0.62) CFTRLMNAGBA1PKMHSD11B1
SCHEMBL5741445 0.81 LMNA (0.53) CFTRLMNAGBA1PKMCHRM5

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 1/4885LMNA 3024/4885GBA1 575/4885

“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.