Sugi Predict

Sugi Predict / Compounds / SCHEMBL12419233

SCHEMBL12419233

SCHEMBL12419233

COc1ccc2cc(B(O)O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ENPP2 Q13822 4/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ TUBB4A P04350 1/20 0.36

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
SCHEMBL12419231 0.82 CA1 (0.42) CA1CA2ENPP2KDM4EHPGD
SCHEMBL12419245 0.82 SRC (0.41) CA1CA2ENPP2NCF1TTR
SCHEMBL12419222 0.81 ENPP2 (0.53) CA1CA2ENPP2NCF1KDM4E
SCHEMBL12419223 0.79 TLR8 (0.43) CA1CA2ENPP2NCF1KDM4E
SCHEMBL17962754 0.78 ENPP2 (0.40) CA1CA2ENPP2TTR
SCHEMBL12419220 0.78 CA1 (0.51) CA1CA2ENPP2KDM4EHPGD
SCHEMBL1238150 0.77 ESR1 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29768705 0.77 ESR1 (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29954834 0.77 CYP1A2 (0.57) CA1CA2ENPP2TTRKDM4E
SCHEMBL16738830 0.77 CYP1A2 (0.57) CA1CA2ENPP2TTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 — — US disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 — — US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 — — US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 — — US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 — — US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 — — US disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 — — 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 (2 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA1 822/4885CA2 1487/4885ENPP2 68/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA1 822/4885CA2 1487/4885ENPP2 68/4885

“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.