SCHEMBL2364066

SCHEMBL2364066

S=C(OCc1ccccc1)SCc1ccccc1.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
IDO1 P14902 6/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL3063093 0.98 CA12 (0.53) CA12CA1CA2CA9IDO1
SCHEMBL29042085 0.95 CA12 (0.50) CA12CA1CA2CA9IDO1
SCHEMBL264585 0.81 CA12 (0.52) CA12CA1CA2CA9IDO1
SCHEMBL21578130 0.79 CA12 (0.42) CA12CA1CA2CA9IDO1
SCHEMBL28704608 0.79 CA12 (0.49) CA12CA1CA2CA9IDO1
SCHEMBL1267690 0.77 CA12 (0.55) CA12CA1CA2CA9IDO1
SCHEMBL10921071 0.77 CA12 (0.55) CA12CA1CA2CA9IDO1
SCHEMBL163890 0.76 CA12 (0.53) CA12CA1CA2CA9IDO1
SCHEMBL1722103 0.76 IDO1 (0.65) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL865387 0.76 CA12 (0.53) CA12CA1CA2CA9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352876-B1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2012-12-12 EP claimed
US-20110217348-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2011-09-08 US claimed
EP-2352876-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2011-08-10 EP claimed
WO-2010052153-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2010-05-14 WO claimed
EP-2352876-B1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2012-12-12 EP disclosed
US-20110217348-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2011-09-08 US disclosed
EP-2352876-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2011-08-10 EP disclosed
WO-2010052153-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2010-05-14 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-20110217348-A1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS C9, ADORA2B, C5 CA12 824/4885CA1 347/4885CA2 456/4885

“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.