SCHEMBL17960010

SCHEMBL17960010

C[C@@H]1CCCN1S(=O)(=O)c1ccc(O)c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 10/20 0.67
▸ KDM4E B2RXH2 3/20 0.62
▸ ALOX15 P16050 1/20 0.61
▸ FTO Q9C0B1 2/20 0.54

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
SCHEMBL17960029 1.00 COMT (0.67) COMTKDM4EALOX15FTO
SCHEMBL17962392 1.00 COMT (0.67) COMTKDM4EALOX15FTO
SCHEMBL17962337 0.85 COMT (0.63) COMTKDM4EALOX15FTO
SCHEMBL17962299 0.84 COMT (0.70) COMTKDM4EFTO
SCHEMBL17962422 0.84 COMT (0.67) COMTKDM4EFTO
SCHEMBL17962350 0.84 KDM4E (0.67) COMTKDM4EALOX15FTO
SCHEMBL17962291 0.84 COMT (0.58) COMTKDM4EALOX15FTO
SCHEMBL17962400 0.83 COMT (0.69) COMTKDM4EALOX15
SCHEMBL17962378 0.83 COMT (0.69) COMTKDM4EALOX15
SCHEMBL17962346 0.83 COMT (0.63) COMTKDM4EFTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222001-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US claimed
WO-2016123577-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO claimed
US-9951057-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-04-24 — — US disclosed
US-9951057-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-04-24 — — US disclosed
US-9951057-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-04-24 — — US disclosed
US-20160222001-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
US-20160222001-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
US-20160222001-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
WO-2016123577-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO 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-20160222001-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885ALOX15 1359/4885

“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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