SCHEMBL7781699

SCHEMBL7781699

CCCCCCCCCCCCc1ccc(S(=O)(=O)ON=C(C#N)c2ccc(SC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
ATG4B Q9Y4P1 11/20 0.37
PLA2G1B P04054 9/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
RARB P10826 2/20 0.37

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
SCHEMBL7781697 1.00 CA2 (0.39) CA2ATG4BPLA2G1BTHRATHRB
SCHEMBL36667 0.87 CA2 (0.42) CA2ATG4BPLA2G1BTHRATHRB
SCHEMBL36666 0.87 CA2 (0.42) CA2ATG4BPLA2G1BTHRATHRB
SCHEMBL2880829 0.87 PLK1 (0.41) CA2ATG4BPLA2G1BTHRATHRB
SCHEMBL2880826 0.87 PLK1 (0.41) CA2ATG4BPLA2G1BTHRATHRB
SCHEMBL28629847 0.82 FAAH (0.42) CA2ATG4BPLA2G1BTHRATHRB
SCHEMBL7789358 0.82 SMPD1 (0.46)
SCHEMBL7789356 0.82 SMPD1 (0.46)
SCHEMBL2582376 0.81 ALDH1A1 (0.41) TDP1
SCHEMBL2582375 0.81 ALDH1A1 (0.41) TDP1

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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US claimed
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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 (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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH CA2 220/4885ATG4B 4855/4885PLA2G1B 2625/4885

“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.