SCHEMBL3256301

SCHEMBL3256301

CCCCCS(=O)(=O)N1CCCC1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.56
MMP8 P22894 6/20 0.42
MMP12 P39900 4/20 0.42
MMP13 P45452 4/20 0.42
MMP1 P03956 1/20 0.42
MMP7 P09237 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3256303 1.00 FKBP1A (0.56) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL6830972 0.98 FKBP1A (0.58) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL6830973 0.98 FKBP1A (0.58) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL26212073 0.95 FKBP1A (0.51) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL6831371 0.94 FKBP1A (0.54) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL6831374 0.94 FKBP1A (0.54) FKBP1AMMP8MMP12MMP13MMP1
Hydroxyamine SCHEMBL5894442 0.93 FKBP1A (0.50) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL10815653 0.92 FKBP1A (0.48) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL9103345 0.89 FKBP1A (0.47) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL9103351 0.89 FKBP1A (0.47) FKBP1AMMP8MMP12MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197514-A1 PROTEIN CRYSTAL OF HUMAN CYTOCHROME P450 AROMATASE AND USES THEREOF HAUPTMAN-WOODWARD MEDICAL RESEARCH INSTITUTE, INC. (US) 2010-08-05 US disclosed
US-7687252-B2 Protein crystal of human cytochrome P450 aromatase and uses thereof Hauptman-Woodward Medcial Research Institute, Inc. (US) 2010-03-30 US disclosed
US-20090204378-A1 PROTEIN CRYSTAL OF HUMAN CYTOCHROME P450 AROMATASE AND USES THEREOF HAUPTMAN-WOODWARD MEDICAL RESEARCH INSTITUTE, INC. (US) 2009-08-13 US disclosed
WO-2009061859-A2 PROTEIN CRYSTAL OF HUMAN CYTOCHROME P450 AROMATASE AND USES THEREOF HAUPTMAN-WOODWARD MEDICAL RESEARCH INSTITUTE, INC. (US) 2009-05-14 WO disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7030051-B2 Dirhodium catalyst compositions and methods for using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-04-18 US disclosed
US-6962891-B2 Solid support dirhodium catalyst compositions and methods for making and using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-11-08 US disclosed
US-6943180-B2 Substituted N-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-09-13 US disclosed
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2004-05-27 US disclosed
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 US disclosed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 WO disclosed
US-5591854-A CATALYTIC CONDENSATION OF DIENES AND VINYLDIAZOMETHANEESTERS WAKE FOREST UNIVERSITY (US) 1997-01-07 US disclosed
WO-1996011928-A1 ENANTIOSELECTIVE SYNTHESIS OF SEVEN-MEMBERED CARBOCYCLES AND TROPANES WAKE FOREST UNIVERSITY (US) 1996-04-25 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D FKBP1A 3502/4885MMP8 4343/4885MMP12 4598/4885
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors VCAM1, CD4, ICAM1 FKBP1A 792/4885MMP8 361/4885MMP12 268/4885

“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.