SCHEMBL17962291

SCHEMBL17962291

CC1CNCCN1S(=O)(=O)c1ccc(O)c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 7/20 0.58
▸ PRKD3 O94806 2/20 0.57
▸ PRKCG P05129 2/20 0.57
▸ PRKCB P05771 2/20 0.57
▸ PRKCA P17252 2/20 0.57
▸ PRKACA P17612 2/20 0.57
▸ PRKACG P22612 2/20 0.57
▸ PRKACB P22694 2/20 0.57
▸ PRKCH P24723 2/20 0.57
▸ PRKCI P41743 2/20 0.57
▸ PRKCE Q02156 2/20 0.57
▸ PRKCQ Q04759 2/20 0.57
▸ PRKCZ Q05513 2/20 0.57
▸ PRKCD Q05655 2/20 0.57
▸ PRKD1 Q15139 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALOX15 P16050 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57

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
SCHEMBL17962964 0.86 COMT (0.56) COMTPRKD3PRKCGPRKCBPRKCA
SCHEMBL17960029 0.84 COMT (0.67) COMTALOX15KDM4EFTO
SCHEMBL17962392 0.84 COMT (0.67) COMTALOX15KDM4EFTO
SCHEMBL17960010 0.84 COMT (0.67) COMTALOX15KDM4EFTO
SCHEMBL30366611 0.83 CYP3A4 (0.65) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL17962966 0.82 COMT (0.74) COMTSMN1; SMN2ALOX15MEN1TP53
SCHEMBL13513879 0.81 PRKCD (0.65) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL17962258 0.81 COMT (0.78) COMTPRKD3PRKCGPRKCBPRKCA
SCHEMBL25437508 0.79 COMT (0.55) COMTALOX15KDM4EFTO
SCHEMBL12306063 0.78 PRKCD (0.67) PRKD3PRKCGPRKCBPRKCAPRKACA

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
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

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 1/4885PRKD3 2803/4885PRKCG 1954/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885PRKD3 2803/4885PRKCG 1954/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885PRKD3 2803/4885PRKCG 1954/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885PRKD3 2803/4885PRKCG 1954/4885

“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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