Sugi Predict

Sugi Predict / Compounds / SCHEMBL2529655

SCHEMBL2529655

SCHEMBL2529655

CC(C)(C)OCCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ACHE P22303 6/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ VDR P11473 1/20 0.31

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
SCHEMBL27050941 1.00 CYP4F2 (0.44) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL21242384 1.00 CYP4F2 (0.44) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL8401052 1.00 CYP4F2 (0.44) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL2529567 1.00 CYP4F2 (0.44) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL27911472 0.97 CYP4F2 (0.43) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL224224 0.97 CYP4F2 (0.46) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL4751601 0.90 CYP4F2 (0.55) CYP4F2CYP4A11TDP1LMNAMEN1
SCHEMBL217776 0.89 — —
SCHEMBL29132520 0.88 CYP4F2 (0.49) CYP4F2CYP4A11TDP1MEN1KMT2A
SCHEMBL12361992 0.86 MAPK1 (0.35) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 — — US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 — — US claimed
CN-111848394-A Synthesis method and application of maleic acid dihydric alcohol mono-tertiary butyl ether diester 深圳飞扬兴业科技有限公司 2020-10-30 — — CN disclosed
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 — — US disclosed
US-20100094002-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. 2010-04-15 — — US disclosed
US-7655680-B2 (E)-3-[2-(3,4-diethoxyphenyl)thiazole-4-yl]-1-(2-methoxyphenyl)propenone; inhibiting the activity of phosphodiesterase 4, the production of tumor necrosis factor alpha, and the production of interleukin 4; atopic dermatitis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 — — US disclosed
US-20080039511-A1 Thiazole Compound and Use Thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 — — US disclosed
EP-1748044-A1 THIAZOLE COMPOUND AND USE THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2007-01-31 — — EP disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 — — US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 — — US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 — — US disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 — — WO disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 — — US disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 — — EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 — — EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 — — US disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 — — WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 — — WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 — — EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 — — EP 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 (3 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CYP4F2 130/4885CYP4A11 472/4885TDP1 2738/4885
US-20100094002-A1 Thiazole Compound and Use Thereof PDE3B, IL4, PDE4A CYP4F2 149/4885CYP4A11 21/4885TDP1 962/4885
US-20080039511-A1 Thiazole Compound and Use Thereof PDE3B, PDE3A, PDE4A CYP4F2 204/4885CYP4A11 40/4885TDP1 938/4885

“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.