SCHEMBL1730826

SCHEMBL1730826

Cc1ccc(S(=O)(=O)OC2OC(C)(C)OC2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
VDR P11473 1/20 0.38
ELANE P08246 1/20 0.37
PRTN3 P24158 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL1730824 1.00 CYP2D6 (0.43) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL13362393 0.79 CYP2D6 (0.43) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL9205825 0.79 CYP2D6 (0.43) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL1063303 0.79 CYP2D6 (0.43) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL7754632 0.79 CYP2D6 (0.45) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL28368168 0.79 CYP2D6 (0.45) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL7754518 0.79 CYP2D6 (0.45) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
SCHEMBL7752502 0.79 CYP2D6 (0.45) CYP2D6CYP1A2GAASMN1; SMN2KMT2A
Ammonia Solution, Strong SCHEMBL4864812 0.77 HPGD (0.38) CYP2D6CYP1A2CA1CA2CA9
SCHEMBL31717908 0.76 CYP2D6 (0.36) CYP2D6CYP1A2SMN1; SMN2KMT2AVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (2 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CYP2D6 138/4885CYP1A2 137/4885GAA 4867/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 CYP2D6 135/4885CYP1A2 136/4885GAA 4868/4885

“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.