SCHEMBL1500136

SCHEMBL1500136

O=[N+]([O-])c1ccc(S(=O)(=O)Oc2c(O)cccc2I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CA2 P00918 7/20 0.42
CA1 P00915 6/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5A P35218 4/20 0.42
CA3 P07451 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA13 Q8N1Q1 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
LMNA P02545 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
SCHEMBL573440 0.82 ALDH1A1 (0.44) ALDH1A1CA2CA5AMEN1KMT2A
SCHEMBL548021 0.81 MEN1 (0.57) ALDH1A1CA2CA1CA9CA12
SCHEMBL29811015 0.81 MEN1 (0.57) ALDH1A1CA2CA1CA9CA12
SCHEMBL929164 0.76 ALPL (0.53) ALDH1A1HSP90AA1CA2CA1CA9
SCHEMBL18263202 0.75 CA2 (0.49) ALDH1A1HSP90AA1CA2CA1CA9
SCHEMBL15022229 0.71 CA1 (0.47) ALDH1A1HSP90AA1CA2CA1CA9
SCHEMBL4593924 0.71 CA1 (0.37) ALDH1A1CA2CA1CA9CA12
SCHEMBL8055948 0.70 TDP1 (0.47) ALDH1A1CA2CA1CA9CA12
SCHEMBL18263209 0.69 ALDH1A1 (0.41) ALDH1A1HSP90AA1CA2CA1CA9
SCHEMBL11041999 0.69 HTT (0.59) ALDH1A1HSP90AA1CA2CA1CA9

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
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 ALDH1A1 1200/4885HSP90AA1 1492/4885CA2 1740/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 ALDH1A1 1033/4885HSP90AA1 1452/4885CA2 1483/4885

“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.