SCHEMBL17962396

SCHEMBL17962396

O=S(=O)(c1ccc(O)c2ncccc12)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 8/20 0.64
▸ APP P05067 2/20 0.50
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ FTO Q9C0B1 2/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ ERCC1 P07992 1/20 0.44

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
SCHEMBL17962276 0.84 COMT (0.67) COMTFTOKDM4EMAPTKMT2A
SCHEMBL17962390 0.84 LMNA (0.54) COMTKDM4ENPC1MEN1MAPT
SCHEMBL17962280 0.83 COMT (0.64) COMTAPPUSP2TP53ALOX15
SCHEMBL30574416 0.81 COMT (0.60) COMTAPPUSP2TP53ALOX15
SCHEMBL17962340 0.81 COMT (0.60) COMTAPPUSP2TP53ALOX15
SCHEMBL17962272 0.79 COMT (1.00) COMTFTOKDM4EL3MBTL1
SCHEMBL17962304 0.78 COMT (0.97) COMTFTOKDM4EL3MBTL1
SCHEMBL17962404 0.76 COMT (0.79) COMTFTOKDM4E
SCHEMBL17960014 0.76 COMT (0.79) COMTFTOKDM4E
SCHEMBL17962330 0.73 SMN1; SMN2 (0.72) COMTAPPUSP2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP claimed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US claimed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US claimed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US claimed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP claimed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO claimed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US claimed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — 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 (4 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885APP 1170/4885USP2 2609/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885APP 1170/4885USP2 2609/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885APP 1170/4885USP2 2609/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885APP 1170/4885USP2 2609/4885

“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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