SCHEMBL2456665

SCHEMBL2456665

O=S(=O)(c1nc(N2CCCCC2)c2nc(S(=O)(=O)N(OCCO)OCCO)nc(N3CCCCC3)c2n1)N(OCCO)OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 14/20 0.51
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PDE2A O00408 1/20 0.45
▸ RGS12 O14924 1/20 0.45
▸ SLC22A2 O15244 1/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ ABCC5 O15440 1/20 0.45
▸ PDE6D O43924 1/20 0.45
▸ PDE8A O60658 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PDE5A O76074 1/20 0.45
▸ ABCB11 O95342 1/20 0.45

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
SCHEMBL2458642 0.81 SLC29A1 (0.46) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL141542 0.73 SLC29A1 (0.61) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2456662 0.71 SLC29A1 (0.38) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2457088 0.69 GLP1R (0.43) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL15065644 0.68 SLC29A1 (0.55) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9565600 0.68 SLC29A1 (0.53) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7446848 0.68 SLC29A1 (0.53) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2456479 0.67 SLC29A1 (0.43) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2458640 0.65 SLC29A1 (0.41) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2459706 0.65 SLC29A1 (0.41) SLC29A1MEN1CYP3A4CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 — — WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 — — 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF SLC29A1 3650/4885MEN1 4550/4885CYP3A4 4853/4885

“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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