SCHEMBL7712352

SCHEMBL7712352

CCC(CCC(CC)C(=O)S)C(=O)S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 4/20 0.41
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL6722543 0.89
SCHEMBL6724909 0.88
SCHEMBL7712354 0.85 SLC1A3 (0.42) CA2MAPK1CA1TSHRUSP2
SCHEMBL1920046 0.85 CA2 (0.64) CA2MAPK1CA1USP2SLC1A3
SCHEMBL7509585 0.83 CA2 (0.45) CA2MAPK1CA1TSHRUSP2
SCHEMBL8799307 0.83 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL5711132 0.81 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL22612302 0.81 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL6580213 0.81 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL5698797 0.81 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369269-B2 Thiol and sulfur-containing O-(meth)acrylate compounds and use thereof MITSUI CHEMICALS, INC. (JP) 2002-04-09 US disclosed
US-20010044555-A1 Thiol and sulfur-containing O-(meth)acrylate counpounds and use thereof KOBAYASHI SEIICHI (JP) 2001-11-22 US disclosed
US-6265510-B1 OPTICS; LENSES MITSUI CHEMICALS, INC. (JP) 2001-07-24 US disclosed
EP-0810210-B1 Thiol and sulfur-containing o-(meth)acrylate compounds and use thereof MITSUI CHEMICALS INC (JP) 2001-01-10 EP disclosed
US-6114485-A STARTING MATERIAL FOR A RESIN COMPOSITION USED IN OPTICAL APPLICATIONS SUCH AS A LENS MITSUI CHEMICALS, INC. (JP) 2000-09-05 US disclosed
US-5916987-A OPTICAL RESIN; LENSES MITSUI CHEMICALS, INC. (JP) 1999-06-29 US disclosed
EP-0810210-A2 Thiol and sulfur-containing o-(meth)acrylate compounds and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1997-12-03 EP 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-20010044555-A1 Thiol and sulfur-containing O-(meth)acrylate counpounds and use thereof MSRB3, BHMT2, HBS1L CA2 3074/4885MAPK1 2485/4885CA1 3024/4885

“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.