SCHEMBL3823693

SCHEMBL3823693

COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccc([N+](=O)[O-])cc4c(=O)n3C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PKLR P30613 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GBA1 P04062 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
SCHEMBL15457178 0.90 CFTR (0.50) CFTRNPC1PKMPKLRRAB9A
SCHEMBL3822460 0.88 CFTR (0.48) CFTRNPC1PKMPKLRRAB9A
SCHEMBL3819087 0.87 CFTR (0.47) CFTRNPC1PKMPKLRRAB9A
SCHEMBL15457114 0.87 CFTR (0.47) CFTRNPC1PKMPKLRRAB9A
SCHEMBL3817436 0.87 CFTR (0.47) CFTRMAPTNPC1PKMPKLR
SCHEMBL15457177 0.86 CFTR (0.46) CFTRNPC1PKMPKLRRAB9A
SCHEMBL15457179 0.86 CFTR (0.49) CFTRNPC1PKMPKLRRAB9A
SCHEMBL15457180 0.85 S1PR1 (0.46) CFTRNPC1PKMPKLRRAB9A
SCHEMBL15457174 0.85 CFTR (0.46) CFTRMAPTNPC1PKMPKLR
SCHEMBL15457293 0.85 PKM (0.47) CFTRNPC1PKMPKLRRAB9A

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 3 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
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 1/4885MAPT 4347/4885CRHBP 1898/4885

“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.

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