SCHEMBL17962278

SCHEMBL17962278

O=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 8/20 0.67
▸ KDM4E B2RXH2 2/20 0.57
▸ TRPA1 O75762 3/20 0.55
▸ FTO Q9C0B1 2/20 0.49
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ POLB P06746 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
SCHEMBL30574413 1.00 COMT (0.67) COMTKDM4ETRPA1FTOMMP2
SCHEMBL17962299 0.90 COMT (0.70) COMTKDM4EFTOALDH1A1POLB
SCHEMBL17962346 0.89 COMT (0.63) COMTKDM4EFTOALDH1A1POLB
SCHEMBL30574404 0.87 COMT (0.66) COMTKDM4EFTOALDH1A1POLB
SCHEMBL17962322 0.87 COMT (0.66) COMTKDM4EFTOALDH1A1POLB
SCHEMBL17962358 0.87 COMT (0.58) COMTKDM4EFTOGAA
SCHEMBL17962409 0.85 POLB (0.61) COMTKDM4EFTOALDH1A1POLB
SCHEMBL17962422 0.84 COMT (0.67) COMTKDM4EFTO
SCHEMBL17962392 0.81 COMT (0.67) COMTKDM4EFTO
SCHEMBL17960010 0.81 COMT (0.67) 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 14 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
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US claimed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO claimed
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-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
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
WO-2016123576-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 (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 1/4885KDM4E 1957/4885TRPA1 4530/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885TRPA1 4530/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885TRPA1 4530/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885TRPA1 4530/4885

“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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