SCHEMBL4031337

SCHEMBL4031337

CC(=O)SCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PPARA Q07869 3/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
PPARG P37231 1/20 0.52
CTSL P07711 6/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
CTSK P43235 5/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
CTSS P25774 4/20 0.50
CTSB P07858 2/20 0.50
FOLH1 Q04609 1/20 0.48
KYNU Q16719 1/20 0.48

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
SCHEMBL4031334 1.00 HDAC4 (0.52) HDAC4HDAC1HDAC6PPARAALDH1A1
SCHEMBL6897252 1.00 HDAC4 (0.52) HDAC4HDAC1HDAC6PPARAALDH1A1
SCHEMBL8922671 0.88 HDAC1 (0.55) HDAC4HDAC1HDAC6CTSLFNTA
SCHEMBL8922675 0.88 HDAC1 (0.55) HDAC4HDAC1HDAC6CTSLFNTA
SCHEMBL1291086 0.88 PPARA (0.57) PPARAPPARGCTSLFNTAFNTB
SCHEMBL1695001 0.88 PPARA (0.57) PPARAPPARGCTSLFNTAFNTB
SCHEMBL1157282 0.87 FNTA (0.64) PPARAALDH1A1ALOX15PPARGCTSL
SCHEMBL6890973 0.87 PPARA (0.60) PPARAALDH1A1ALOX15PPARGCTSL
SCHEMBL4169134 0.87 FNTA (0.64) PPARAALDH1A1ALOX15PPARGCTSL
SCHEMBL151601 0.87 FNTA (0.64) PPARAALDH1A1ALOX15PPARGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 US disclosed
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-26 US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-12-17 US disclosed
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-12-17 US disclosed
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-12-17 US disclosed
US-7605150-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-10-20 US disclosed
US-7605150-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-10-20 US disclosed
US-7605150-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-10-20 US disclosed
EP-1507549-A4 DRUG THERAPY FOR CELIAC SPRUE UNIV LELAND STANFORD JUNIOR (US) 2009-07-01 EP disclosed
US-20060035838-A1 Drug therapy for celiac sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-02-16 US disclosed
EP-1507549-A2 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2005-02-23 EP disclosed
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
WO-2003096979-A2 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2003-11-27 WO disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 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-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF NPY4R, ADIPOR1, NPY1R HDAC4 637/4885HDAC1 1705/4885HDAC6 2373/4885
US-20060035838-A1 Drug therapy for celiac sprue SI, TMPRSS15, DNPEP HDAC4 268/4885HDAC1 365/4885HDAC6 363/4885
US-20090312260-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 HDAC4 225/4885HDAC1 408/4885HDAC6 394/4885

“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.