SCHEMBL12468448

SCHEMBL12468448

CN(C)S(=O)(=O)c1ccc2occc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.55
▸ CA12 O43570 7/20 0.55
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL12135783 0.80 CA2 (0.51) CA2CA12CYP2A6DYRK1A
SCHEMBL10997201 0.79 CA2 (0.46) CA2CA12CYP2A6
SCHEMBL692366 0.77 CYP2A6 (0.47) CA2CA12CYP2A6DYRK1A
SCHEMBL17955745 0.77 CYP2A6 (0.47) CA2CA12CYP2A6DYRK1A
SCHEMBL3796719 0.77 CYP2A6 (0.47) CA2CA12ALDH1A1CYP2A6DYRK1A
SCHEMBL9075377 0.77 CA2 (0.51) CA2CA12CYP2A6DYRK1ALMNA
SCHEMBL23841198 0.76 CA2 (0.45) CA2CA12CYP2A6
SCHEMBL3793838 0.76 CA2 (0.51) CA2CA12CYP2A6DYRK1A
SCHEMBL12597507 0.76 CA2 (0.45) CA2CA12ALDH1A1CYP2A6DYRK1A
Hydrochloric Acid SCHEMBL27659768 0.75 CYP2A6 (0.46) CA2CA12ALDH1A1CYP2A6DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 — — 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN CA2 3766/4885CA12 2850/4885ALDH1A1 1802/4885

“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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