SCHEMBL7790744

SCHEMBL7790744

COc1cc(/C(C#N)=N\OS(=O)(=O)c2ccc(C)cc2)ccc1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
PKM P14618 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PAX8 Q06710 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
GFER P55789 1/20 0.36
CDK2 P24941 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 4/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34
ATM Q13315 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL7790745 1.00 ALDH1A1 (0.38) ALDH1A1PKMHPGDSMN1; SMN2PAX8
SCHEMBL7790720 0.89 ALDH1A1 (0.33) ALDH1A1PKMHPGDSMN1; SMN2EGFR
SCHEMBL7790716 0.89 ALDH1A1 (0.33) ALDH1A1PKMHPGDSMN1; SMN2EGFR
SCHEMBL4361332 0.88 ALDH1A1 (0.48) ALDH1A1PKMHPGDSMN1; SMN2PAX8
SCHEMBL4361330 0.88 ALDH1A1 (0.48) ALDH1A1PKMHPGDSMN1; SMN2PAX8
SCHEMBL7786272 0.85 MAPT (0.35) ALDH1A1HPGDSMN1; SMN2EGFRMAPT
SCHEMBL7786275 0.85 MAPT (0.35) ALDH1A1HPGDSMN1; SMN2EGFRMAPT
SCHEMBL1331531 0.83 ALDH1A1 (0.41) ALDH1A1PKMHPGDSMN1; SMN2PAX8
SCHEMBL1331529 0.83 ALDH1A1 (0.41) ALDH1A1PKMHPGDSMN1; SMN2PAX8
SCHEMBL18957974 0.81 ALDH1A1 (0.40) ALDH1A1PKMHPGDSMN1; SMN2GAA

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 160/4885PKM 1733/4885HPGD 779/4885

“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.