SCHEMBL7109450

SCHEMBL7109450

CCCC(C#N)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.33
HDAC7 Q8WUI4 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32

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
SCHEMBL7159187 0.87 TP53 (0.39) TSHRTP53FDPS
SCHEMBL27533149 0.84 TP53 (0.46) TP53FDPS
SCHEMBL27360518 0.81
SCHEMBL28154220 0.79 CA12 (0.30)
SCHEMBL27497599 0.77
SCHEMBL6721961 0.77 HDAC1 (0.36) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL8719513 0.76
SCHEMBL11831825 0.71 SLC22A6 (0.36)
SCHEMBL18222446 0.71 CHRM1 (0.31) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL19419153 0.70

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
CN-1288499-C Radiation-sensitive resin composition JSR CORP (JP) 2006-12-06 CN disclosed
CN-1501166-A Radiation-sensitive resin composition JSR株式会社 2004-06-02 CN disclosed
US-20030095924-A1 Galenical formulations SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-22 US disclosed
US-6447749-B1 Perfluoro-alkyl containing dye molecules and galencial formulations SCHERING AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
CN-1336914-A Method for producing 2-hydroxy-4-methylthiobutanoic acid SUMITOMO CHEMICAL CO (JP) 2002-02-20 CN 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-20030095924-A1 Galenical formulations GALR1, GALR2, LGALS1 HDAC1 4245/4885HDAC2 3536/4885CHRM1 420/4885

“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.