SCHEMBL5288095

SCHEMBL5288095

NC(CCCOc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
LTA4H P09960 5/20 0.54
PARP10 Q53GL7 1/20 0.54
KCNA3 P22001 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
KIF11 P52732 3/20 0.49
PKM P14618 2/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALPI P09923 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47

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
SCHEMBL6159560 0.95 KCNA3 (0.55) TDP1LTA4HPARP10KCNA3ITGB3
SCHEMBL6161530 0.95 KCNA3 (0.55) TDP1LTA4HPARP10KCNA3ITGB3
Bromide SCHEMBL6049703 0.92 LTA4H (0.57) TDP1LTA4HPARP10ITGB3ITGA2B
Bromide SCHEMBL6049707 0.92 LTA4H (0.57) TDP1LTA4HPARP10ITGB3ITGA2B
SCHEMBL5082950 0.91 LTA4H (0.53) TDP1LTA4HPARP10KCNA3ITGB3
SCHEMBL5082944 0.91 LTA4H (0.53) TDP1LTA4HPARP10KCNA3ITGB3
SCHEMBL9090603 0.91 LTA4H (0.53) TDP1LTA4HPARP10KCNA3ITGB3
Bromide SCHEMBL6049715 0.88 LTA4H (0.56) TDP1LTA4HPARP10KCNA3ITGB3
Bromide SCHEMBL6049719 0.88 LTA4H (0.56) TDP1LTA4HPARP10KCNA3ITGB3
Bromide SCHEMBL6049769 0.86 LTA4H (0.56) LTA4HITGB3ITGA2BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165491-B1 LTA4 HYDROLASE INHIBITORS INST NAT SANTE RECH MED (FR) 2004-02-11 EP claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
CN-100392108-C Composition and use thereof TFL LEDERTECHNIK GMBH (DE) 2008-06-04 CN disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-7094773-B2 LTA4 hydrolase inhibitors Institut National de la Santa et de la rescherche Medicale Bioprojet (FR) 2006-08-22 US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 US disclosed
CN-1625605-A Composition and use thereof TFL LEDERTECHNIK GMBH (DE) 2005-06-08 CN disclosed
US-6878723-B1 Carbocyclic and/or heterocyclic amino carboxylic acids, e.g., 2-aminomethyl-6-(p-benzylphenoxy)hexanoic acid; leukotriene A4 hydrolase; treating arthritis and psoriasis; hematoprotective and antimitotic agents INSTITUT NATIONAL DE LA SANTE ET DE LA RESCHERCHE MEDICALE (INSERM) (FR) 2005-04-12 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 TDP1 3065/4885LTA4H 1142/4885PARP10 3391/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 TDP1 3811/4885LTA4H 778/4885PARP10 4463/4885

“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.