Sugi Predict

Sugi Predict / Compounds / SCHEMBL177383

SCHEMBL177383

SCHEMBL177383

CCCCOc1ccc(B(O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LPL P06858 7/20 0.41
▸ LIPG Q9Y5X9 7/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ FAAH O00519 2/20 0.40
▸ GLA P06280 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL29953148 1.00 THRA (0.44) THRATHRBCA1CA2LPL
SCHEMBL29950781 0.95 THRA (0.49) THRATHRBCA1CA2LPL
SCHEMBL7514162 0.94 THRA (0.51) THRATHRBCA1CA2LPL
SCHEMBL29737220 0.94 THRA (0.51) THRATHRBCA1CA2LPL
SCHEMBL6657948 0.94 THRA (0.51) THRATHRBCA1CA2LPL
SCHEMBL7789283 0.94 THRA (0.51) THRATHRBCA1CA2LPL
SCHEMBL8220595 0.94 THRA (0.51) THRATHRBCA1CA2LPL
SCHEMBL16362051 0.93 RARB (0.44) THRATHRBCA1CA2LPL
SCHEMBL177284 0.92 MAPT (0.40) THRATHRBCA1CA2LPL
SCHEMBL9945988 0.89 THRA (0.43) THRATHRBS1PR1S1PR2S1PR3

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230971-B Boric acid and ester as inhibitors of fatty amide hydrolase 英菲尼提制药公司 2017-11-24 — — CN disclosed
US-9487702-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
EP-2399896-B1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING SAME JNC CORP (JP) 2016-04-13 — — EP disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 — — US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 — — US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 — — US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 — — US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 — — US disclosed
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 — — US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — US disclosed
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 — — WO disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 — — US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 — — US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 — — US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 — — WO disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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 (7 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-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, ILK, LCP1 THRA 4874/4885THRB 4875/4885CA1 1516/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 THRA 4039/4885THRB 4383/4885CA1 2297/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 THRA 3203/4885THRB 3037/4885CA1 908/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 THRA 1584/4885THRB 898/4885CA1 4827/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 THRA 2892/4885THRB 3294/4885CA1 821/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 THRA 1053/4885THRB 723/4885CA1 4405/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 THRA 3844/4885THRB 3768/4885CA1 1896/4885

“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.