SCHEMBL134594

SCHEMBL134594

CCCCC(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
PPARG P37231 11/20 0.49
ALOX5 P09917 10/20 0.49
PPARA Q07869 6/20 0.49
KIF11 P52732 4/20 0.47
PTGES O14684 9/20 0.46
PSEN1 P49768 1/20 0.43
EPHX1 P07099 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL31676108 0.95 HSD17B10 (0.47) HSD17B10PPARGALOX5PPARAKIF11
SCHEMBL1929859 0.85 KIF11 (0.52) PPARGALOX5PPARAKIF11PTGES
SCHEMBL4454777 0.83 POLB (0.49) KIF11POLB
SCHEMBL4838957 0.79 KIF11 (0.44) PPARGPPARAKIF11
SCHEMBL4839082 0.78 KIF11 (0.43) KIF11EPHX1
SCHEMBL4158244 0.77 KDM4E (0.50) KIF11POLBKMT2AL3MBTL1
SCHEMBL8442261 0.76 MMP2 (0.46) L3MBTL1
SCHEMBL5080497 0.76 PPARG (0.72) HSD17B10PPARGALOX5PPARAPTGES
SCHEMBL4839273 0.76 CYP1A2 (0.48) HSD17B10PPARGPPARAKIF11
SCHEMBL4831433 0.76 CYP1A2 (0.48) HSD17B10PPARGPPARAKIF11

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198218-B2 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2012-06-12 US disclosed
EP-2459171-A1 LONG ACTING INSULIN COMPOSITION Sanofi-Aventis Deutschland GmbH (DE) 2012-06-06 EP disclosed
US-20120058084-A1 Interferon Alpha Carrier Prodrugs ASCENDIS PHARMA AS (DK) 2012-03-08 US disclosed
EP-2403537-A1 INTERFERON ALPHA CARRIER PRODRUGS Ascendis Pharma A/S (DK) 2012-01-11 EP disclosed
WO-2011012723-A1 INJECTABLE SUSTAINED RELEASE COMPOSITIONS COMPRISING A PRAMIPEXOLE PRODRUG ASCENDIS PHARMA AS (DK) 2011-02-03 WO disclosed
WO-2011012719-A1 LONG ACTING INSULIN COMPOSITION ASCENDIS PHARMA AS (DK) 2011-02-03 WO disclosed
WO-2010100220-A1 INTERFERON ALPHA CARRIER PRODRUGS ASCENDIS PHARMA AS (DK) 2010-09-10 WO disclosed
US-20100022499-A1 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2010-01-28 US disclosed
US-7365091-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2008-04-29 US disclosed
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2006-12-21 US disclosed
US-7105539-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-09-12 US disclosed
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-06-22 US disclosed
EP-1461324-A4 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS YISSUM RES DEV CO (IL) 2006-02-01 EP disclosed
US-20050266496-A1 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-12-01 US disclosed
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 EP disclosed
EP-1461324-A2 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS Yissum Research Development Company of the Hebrew University of Jerusalem (IL) 2004-09-29 EP disclosed
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex BIOMEP INC. 2004-09-23 US disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 WO disclosed
US-20030144260-A1 Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-31 US disclosed
WO-2003059876-A2 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-24 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 (7 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-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX GLS, SUCNR1, PGD HSD17B10 322/4885PPARG 1182/4885ALOX5 1439/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD HSD17B10 303/4885PPARG 1228/4885ALOX5 1437/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH HSD17B10 279/4885PPARG 1112/4885ALOX5 1336/4885
US-20030144260-A1 Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method AADAC, ABCG2, HDAC3 HSD17B10 153/4885PPARG 2117/4885ALOX5 3729/4885
US-20100022499-A1 HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS AADAC, ABCG2, RICTOR HSD17B10 486/4885PPARG 1378/4885ALOX5 3752/4885
US-20050266496-A1 Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads AADAC, ABCG2, RICTOR HSD17B10 486/4885PPARG 1378/4885ALOX5 3752/4885
US-20120058084-A1 Interferon Alpha Carrier Prodrugs IFNG, IFNAR1, IRF3 HSD17B10 1124/4885PPARG 1605/4885ALOX5 1486/4885

“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.