Sugi Predict

Sugi Predict / Compounds / SCHEMBL378939

SCHEMBL378939

SCHEMBL378939

COC(=O)C(Br)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE2A O00408 2/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1938686 0.84 POLB (0.52) ALDH1A1EPHX2POLBPDE2AL3MBTL1
SCHEMBL12809804 0.82 ALDH1A1 (0.55) ALDH1A1HPGDEPHX2POLBKMT2A
SCHEMBL1566068 0.82 GPR139 (0.45) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL7470489 0.81 EPHX2 (0.47) ALDH1A1EPHX2KMT2AMEN1PDE2A
SCHEMBL378101 0.81 KMT2A (0.49) ALDH1A1KMT2AMEN1NPSR1NPC1
SCHEMBL950460 0.81 ALDH1A1 (0.50) ALDH1A1HPGDEPHX2POLBKMT2A
SCHEMBL10235461 0.81 ALDH1A1 (0.50) ALDH1A1HPGDEPHX2POLBKMT2A
SCHEMBL8426340 0.80 ALDH1A1 (0.46) ALDH1A1HPGDEPHX2GAAPDE2A
SCHEMBL840763 0.80 GSK3B (0.47) EPHX2PDE2A
SCHEMBL7473087 0.80 EPHX1 (0.48) ALDH1A1EPHX2KMT2AGAAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642786-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-04 — — US disclosed
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-08-08 — — US disclosed
US-8420849-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-16 — — US disclosed
US-8399685-B2 Process for producing thiophene compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-19 — — US disclosed
US-20130060050-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-07 — — US disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 — — US disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 — — US disclosed
US-8283474-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-10-09 — — US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 — — US disclosed
US-8263782-B2 Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-09-11 — — US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 — — WO disclosed
WO-2007022980-A1 USE OF AZABICYCLO HEXANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-01 — — WO disclosed
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 — — EP disclosed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 — — WO disclosed
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 — — EP disclosed
US-20030171411-A1 Amide derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2003-09-11 — — US disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 — — 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-20130060050-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF SULT1E1, CYP3A4, TKT ALDH1A1 1289/4885HPGD 2684/4885EPHX2 2035/4885
US-20130204013-A1 PROCESS FOR PRODUCING THIOPHENE COMPOUND AND INTERMEDIATE THEREOF TST, SULT1E1, GRHPR ALDH1A1 102/4885HPGD 834/4885EPHX2 910/4885
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 ALDH1A1 773/4885HPGD 589/4885EPHX2 1711/4885
US-20030171411-A1 Amide derivatives as therapeutic agents GK, GCKR, GCK ALDH1A1 657/4885HPGD 590/4885EPHX2 3393/4885

“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.