SCHEMBL21408106

SCHEMBL21408106

Cc1ccc(S(=O)(=O)OCCNCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ DRD4 P21917 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL9550978 0.85 ALDH1A1 (0.50) CA12CA9CYP3A4CA1CA2
SCHEMBL241683 0.80 CA9 (0.54) CA12CA9CYP1A2CYP3A4ATM
SCHEMBL14219017 0.80 ALDH1A1 (0.47) CA12CA9CYP3A4CA1CA2
SCHEMBL9703293 0.80 DRD2 (0.59) CYP1A2CYP3A4KMT2AALDH1A1DRD4
SCHEMBL31606584 0.79 CA12 (0.49) CA12CA9CYP1A2CYP3A4ATM
SCHEMBL7809908 0.79 DRD4 (0.54) CA12CA9CA1CA2KMT2A
SCHEMBL9169477 0.78 ALDH1A1 (0.44) CA12CA9CYP3A4CA1CA2
SCHEMBL29803178 0.78 CA12 (0.58) CA12CA9CYP1A2CYP3A4ATM
SCHEMBL28629399 0.78 ALDH1A1 (0.44) CA12CA9CYP1A2L3MBTL1CA1
SCHEMBL7028389 0.78 CNR2 (0.50) CA12CA9CYP1A2CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190300492-A1 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF SUPERNUS PHARMACEUTICALS, INC. (US) 2019-10-03 — — US claimed
US-20190300492-A1 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF SUPERNUS PHARMACEUTICALS, INC. (US) 2019-10-03 — — 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-20190300492-A1 METHODS FOR PRODUCING VILOXAZINE SALTS AND NOVEL POLYMORPHS THEREOF CYP3A5, VIL1, CYP3A4 CA12 1435/4885CA9 3061/4885CYP1A2 12/4885

“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.

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