SCHEMBL1428735

SCHEMBL1428735

COc1ccc2c(c1)N(CCCS(=O)(=O)O)CCC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CREBBP Q92793 8/20 0.47
BRD4 O60885 5/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HSD17B10 Q99714 1/20 0.45
EP300 Q09472 1/20 0.45
DRD2 P14416 5/20 0.44
DRD4 P21917 5/20 0.44
DRD3 P35462 5/20 0.44
DRD1 P21728 4/20 0.44
DRD5 P21918 4/20 0.44
TYMS P04818 1/20 0.43
TSHR P16473 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42

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
SCHEMBL1394587 0.99 RORC (0.50) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL1394583 0.87 RORC (0.50) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL2743840 0.83 CHRM2 (0.54) RORCHRH3DRD2DRD4DRD3
SCHEMBL8606442 0.82 HDAC1 (0.53) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL6719487 0.81 HDAC1 (0.53) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL10490519 0.80 HRH3 (0.52) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL10092656 0.79 MEN1 (0.57) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL917255 0.78 DRD2 (0.57) DRD2DRD4DRD3
SCHEMBL28805650 0.78 HDAC1 (0.53) RORCHDAC1HDAC6CREBBPBRD4
SCHEMBL2743717 0.78 CHRM2 (0.47) RORCHRH3DRD2DRD4DRD3

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-20120010404-A1 OXAZINE DYES WITH IMPROVED AQUEOUS SOLUBILITY SIGMA-ALDRICH CO. (US) 2012-01-12 US disclosed
EP-2300445-A1 OXAZINE DYES WITH IMPROVED AQUEOUS SOLUBILITY Sigma-Aldrich Co. (US) 2011-03-30 EP disclosed
WO-2009152024-A1 OXAZINE DYES WITH IMPROVED AQUEOUS SOLUBILITY SIGMA-ALDRICH CO. (US) 2009-12-17 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-20120010404-A1 OXAZINE DYES WITH IMPROVED AQUEOUS SOLUBILITY OXA1L, PPOX, CRYZ RORC 214/4885HDAC1 1870/4885HDAC6 2924/4885

“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.