Sugi Predict

Sugi Predict / Compounds / SCHEMBL12420001

SCHEMBL12420001

SCHEMBL12420001

COc1ccc2cc(-c3ccc(B(O)O)cc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ HSD17B1 P14061 3/20 0.59
▸ HSD17B2 P37059 3/20 0.59
▸ CYP11B2 P19099 9/20 0.51
▸ CYP11B1 P15538 8/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ GSTP1 P09211 1/20 0.51
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51
▸ TUBB8 Q3ZCM7 1/20 0.51
▸ TUBA3E Q6PEY2 1/20 0.51

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
SCHEMBL29410294 0.85 ENPP2 (0.65) ENPP2CA1CA2HSD17B1HSD17B2
SCHEMBL9210 0.85 ENPP2 (0.65) ENPP2CA1CA2HSD17B1HSD17B2
SCHEMBL28832985 0.85 CA2 (0.86) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL257917 0.85 CA2 (0.86) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL3020390 0.82 HSD17B1 (0.76) HSD17B1HSD17B2CYP11B2CYP11B1CYP1A2
SCHEMBL12051687 0.82 HSD17B1 (0.83) HSD17B1HSD17B2CYP11B2CYP11B1CYP1A2
SCHEMBL11723032 0.82 HSD17B1 (0.83) HSD17B1HSD17B2CYP11B2CYP11B1CYP1A2
SCHEMBL20262887 0.82 ENPP2 (0.65) ENPP2CA1CA2CYP1A2CYP3A4
SCHEMBL4079835 0.81 ENPP2 (0.61) ENPP2CA1CA2HSD17B1HSD17B2
SCHEMBL29952001 0.81 ENPP2 (0.61) ENPP2CA1CA2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ENPP2 68/4885CA1 822/4885CA2 1487/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ENPP2 68/4885CA1 822/4885CA2 1487/4885

“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.