SCHEMBL1374797

SCHEMBL1374797

CN(C(=O)OC(C)(C)C)C(COCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
PPARG P37231 1/20 0.47
CTSS P25774 1/20 0.46
MMP13 P45452 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA1 P00915 2/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.40
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
FOLH1 Q04609 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
SCHEMBL6318931 1.00 PPARA (0.52) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL1374794 1.00 PPARA (0.52) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL29097329 0.90 PPARA (0.44) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL29097327 0.90 PPARA (0.44) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL1414518 0.89 PPARA (0.49) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL1414516 0.89 PPARA (0.49) PPARANPSR1L3MBTL1PPARGCTSS
Cyclohexylamine SCHEMBL8767343 0.88 L3MBTL1 (0.43) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL20721868 0.86 MMP13 (0.43) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL6513916 0.85 PPARA (0.50) PPARANPSR1L3MBTL1PPARGCTSS
SCHEMBL1401042 0.83 MMP13 (0.46) L3MBTL1CTSSMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 US disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US disclosed
CN-101035772-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
WO-2006017844-A1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO disclosed
US-20050250819-A1 Inhibitors of bacterial type III protein secretion systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
CN-1219753-C Oxygenated esters of 4-iodophenylamino phenoxy hydroxamic acid WARNER LAMBERT CO (US) 2005-09-21 CN disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
CN-1446197-A Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER LAMBERT CO (US) 2003-10-01 CN disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 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 (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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA PPARA 4708/4885NPSR1 2743/4885L3MBTL1 1602/4885
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 PPARA 122/4885NPSR1 1734/4885L3MBTL1 4459/4885
US-20050250819-A1 Inhibitors of bacterial type III protein secretion systems PSMB3, GBA3, PSMG3 PPARA 4474/4885NPSR1 3740/4885L3MBTL1 2839/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA PPARA 4651/4885NPSR1 2684/4885L3MBTL1 1586/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO PPARA 347/4885NPSR1 2165/4885L3MBTL1 3825/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 PPARA 1880/4885NPSR1 178/4885L3MBTL1 2924/4885

“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.