SCHEMBL7786403

SCHEMBL7786403

CCCS(=O)(=O)ON=C(C#N)c1ccc(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 1/20 0.42
PDE4A P27815 8/20 0.41
PDE4B Q07343 8/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL7786910 0.91 SMPD1 (0.41) ALDH1A1MAPTELANEPDE4APDE4B
SCHEMBL7786909 0.91 SMPD1 (0.41) ALDH1A1MAPTELANEPDE4APDE4B
SCHEMBL7786974 0.84 ELANE (0.48) ALDH1A1MAPTELANEPDE4APDE4B
SCHEMBL7786268 0.84 ELANE (0.48) ALDH1A1MAPTELANEPDE4APDE4B
SCHEMBL4825409 0.84 RECQL (0.39) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL4825418 0.84 RECQL (0.39) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL36729 0.81 KMT2A (0.33) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL297765 0.81 KMT2A (0.33) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL7786399 0.80 HPGD (0.45) ALDH1A1MAPTELANEPDE4APDE4B
SCHEMBL2702574 0.79 PLA2G7 (0.40) ALDH1A1MAPTMEN1KMT2AMAPK1

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 ALDH1A1 160/4885MAPT 4475/4885ELANE 2700/4885

“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.