Sugi Predict

Sugi Predict / Compounds / SCHEMBL5599

SCHEMBL5599

SCHEMBL5599

ICCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.66
▸ EPHX2 P34913 1/20 0.66
▸ FFAR1 O14842 2/20 0.64
▸ FFAR4 Q5NUL3 1/20 0.64
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ BCHE P06276 4/20 0.62
▸ MAOB P27338 3/20 0.61
▸ APP P05067 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ MAOA P21397 1/20 0.60
▸ RAB9A P51151 1/20 0.60

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
SCHEMBL10898 0.94 APP (0.68) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL1562483 0.91 LTA4H (0.70) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL5750846 0.89 LTA4H (0.68) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL1227970 0.86 LMNA (0.64) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL2253183 0.86 LMNA (0.64) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL10609652 0.85 LMNA (0.75) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL339813 0.85 LMNA (0.82) LTA4HEPHX2LMNACYP1A2PTGS1
SCHEMBL11391516 0.85 LTA4H (0.54) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL11391513 0.85 LTA4H (0.54) LTA4HEPHX2FFAR1FFAR4LMNA
SCHEMBL12040562 0.84 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 — — US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 — — US disclosed
CN-102175786-B Aminopropanol derivatives NOVARTIS AG 2013-07-17 — — CN disclosed
CN-103193822-A Aminopropanol derivatives NOVARTIS AG 2013-07-10 — — CN disclosed
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 — — US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 — — EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 — — US disclosed
CN-102175786-A Aminopropanol derivatives NOVARTIS AG 2011-09-07 — — CN disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 — — US disclosed
CN-1874996-B Aminopropanol derivatives NOVARTIS AG 2011-05-18 — — CN disclosed
EP-1539674-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2005-06-15 — — EP disclosed
WO-2005021503-A1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-03-10 — — WO disclosed
US-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-12-02 — — US disclosed
EP-1431275-A1 DIARYL ETHER DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2004-06-23 — — EP disclosed
WO-2004024673-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2004-03-25 — — WO disclosed
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 — — US disclosed
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 — — EP disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 — — US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 — — US disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 — — 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 (5 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT LTA4H 115/4885EPHX2 527/4885FFAR1 1313/4885
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A LTA4H 2263/4885EPHX2 1803/4885FFAR1 1159/4885
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A LTA4H 2263/4885EPHX2 1803/4885FFAR1 1159/4885
US-20040242654-A1 Diaryl ether derivative, addition salt thereof, and immunosuppressant IL2, TSLP, HLA-DRB1 LTA4H 798/4885EPHX2 727/4885FFAR1 3325/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A LTA4H 352/4885EPHX2 249/4885FFAR1 2319/4885

“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.