SCHEMBL8593124

SCHEMBL8593124

CC(C)NC(=O)c1cccc(C(=O)NC(C)C)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.69
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ERN1 O75460 3/20 0.56
HPGD P15428 1/20 0.53
ROCK2 O75116 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP3A5 P20815 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MLYCD O95822 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ATM Q13315 1/20 0.51
MAOB P27338 1/20 0.51
ROCK1 Q13464 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL13753397 0.92 NPSR1 (0.61) NPSR1GAAKMT2AHSD17B10ERN1
SCHEMBL14355565 0.92 NPSR1 (0.61) NPSR1GAAKMT2AHSD17B10ERN1
SCHEMBL2977147 0.91 NPSR1 (0.59) NPSR1GAAKMT2AHSD17B10ERN1
SCHEMBL958217 0.91 NPSR1 (0.59) NPSR1GAAKMT2AHSD17B10ERN1
SCHEMBL165801 0.88 KDM4E (0.61) NPSR1GAAKMT2AERN1ROCK2
SCHEMBL165800 0.88 NPSR1 (0.61) NPSR1GAAKMT2AHSD17B10ERN1
SCHEMBL30522592 0.88 ATM (0.67) NPSR1KMT2AHDAC8HDAC6ATM
SCHEMBL1754131 0.88 ATM (0.67) NPSR1KMT2AHDAC8HDAC6ATM
SCHEMBL13702338 0.88 GAA (0.60) NPSR1GAAKMT2AHSD17B10ERN1
SCHEMBL13701782 0.88 NPSR1 (0.60) NPSR1GAAKMT2AHSD17B10ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998055489-A1 MULTI-CONSTITUENT SYSTEM FOR MODIFYING, DEGRADING OR BLEACHING LIGNIN, MATERIALS CONTAINING LIGNIN OR SIMILAR SUBSTANCES, AND METHOD FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-12-10 WO claimed
US-20230057847-A1 GLP2 RECEPTOR AGONISTS AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2023-02-23 US disclosed
WO-2021113535-A1 PEPTIDE CONJUGATES AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-10 WO disclosed
WO-2021113524-A2 GLP2 RECEPTOR AGONISTS AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-10 WO disclosed
US-10940146-B2 NHE3-binding compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2021-03-09 US disclosed
US-20190275028-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2019-09-12 US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
WO-1998055489-A1 MULTI-CONSTITUENT SYSTEM FOR MODIFYING, DEGRADING OR BLEACHING LIGNIN, MATERIALS CONTAINING LIGNIN OR SIMILAR SUBSTANCES, AND METHOD FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-12-10 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 (6 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-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 NPSR1 4302/4885GAA 2679/4885KMT2A 4567/4885
US-20190275028-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 NPSR1 1345/4885GAA 796/4885KMT2A 4609/4885
US-20230057847-A1 GLP2 RECEPTOR AGONISTS AND METHODS OF USE GLP1R, GIPR, GRPR NPSR1 119/4885GAA 1693/4885KMT2A 3248/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 NPSR1 4434/4885GAA 1515/4885KMT2A 4399/4885
US-10940146-B2 NHE3-binding compounds and methods for inhibiting phosphate transport SLC34A3, SLC34A2, SLC34A1 NPSR1 1345/4885GAA 796/4885KMT2A 4609/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX NPSR1 4530/4885GAA 1384/4885KMT2A 4542/4885

“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.