SCHEMBL12490830

SCHEMBL12490830

CN(C)N=Nc1ccc([S+]([O-])c2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ CA2 P00918 12/20 0.43
▸ CA9 Q16790 12/20 0.43
▸ CA1 P00915 11/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ STS P08842 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA12 O43570 1/20 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
SCHEMBL15399203 0.85 LMNA (0.62) LMNACA2CA9CA1PTGS2
SCHEMBL15398648 0.80 STS (0.64) LMNACA2CA9CA1STS
SCHEMBL17991991 0.77 LMNA (0.49) LMNACA2CA9CA1STS
SCHEMBL12966538 0.73 PPARA (0.47) MAPT
SCHEMBL12966531 0.72 L3MBTL1 (0.47) LMNAMAPT
SCHEMBL17988694 0.71 LMNA (0.42) LMNACA2CA9STSMAPT
SCHEMBL17992004 0.70 LMNA (0.54) LMNACA2CA9PTGS2MAPT
SCHEMBL17991992 0.70 LMNA (0.49) LMNACA2CA9CA1PTGS2
SCHEMBL17988683 0.69 STS (0.66) LMNACA2CA9CA1STS
SCHEMBL14699616 0.69 LMNA (0.42) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686298-B1 SUBSTITUTED DIPHENYL DERIVATIVES CREATIVE THERAPEUTICS GMBH (DE) 2018-05-09 — — EP disclosed
US-9409859-B2 Substituted diphenyl derivatives CREATIVE THERAPEUTICS GMBH (DE) 2016-08-09 — — US disclosed
EP-2686298-A1 SUBSTITUTED DIPHENYL DERIVATIVES Creative Therapeutics GmbH (DE) 2014-01-22 — — EP disclosed
US-20140005149-A1 Substituted diphenyl derivatives CREATIVE THERAPEUTICS GMBH (DE) 2014-01-02 — — US disclosed
WO-2012122969-A1 SUBSTITUTED DIPHENYL DERIVATIVES CREATIVE THERAPEUTICS GMBH (DE) 2012-09-20 — — WO 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-20140005149-A1 Substituted diphenyl derivatives DPYD, VHL, TP53 LMNA 4060/4885CA2 3743/4885CA9 1800/4885

“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.

Send feedback