SCHEMBL2235683

SCHEMBL2235683

CC(=O)c1ccccc1NC(CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.46
PPARA Q07869 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2235687 1.00 PPARG (0.46) PPARGPPARAPDK1PDK2PDK3
SCHEMBL29067591 0.86 PPARG (0.46) PPARGPPARAPDK1PDK2PDK3
SCHEMBL3934515 0.84 ALDH1A1 (0.42) PPARGPPARAPDK1PDK2PDK3
SCHEMBL27277369 0.84 PPARG (0.59) PPARGPPARA
SCHEMBL3276911 0.84 PDCD1 (0.48) PPARGALDH1A1MAPTPKM
SCHEMBL10861615 0.83 PPARG (0.62) PPARGPPARAALDH1A1
SCHEMBL679864 0.80 RAB9A (0.47) ALDH1A1LMNAMAPTPKMHTT
SCHEMBL7561830 0.80 RAB9A (0.47) ALDH1A1LMNAMAPTPKMHTT
SCHEMBL12984801 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHTT
SCHEMBL1767596 0.78 AKR1C3 (0.46) PDK1PDK2PDK3PDK4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231532-A1 Supported Metal Catalysts JOHNSON MATTHEY PLC (GB) 2020-07-23 US disclosed
US-20180099923-A1 Supported Metal Catalysts JOHNSON MATTHEY PLC (GB) 2018-04-12 US disclosed
CN-102834174-B Supported metal catalysts 约翰逊马西有限公司 2017-11-03 CN disclosed
EP-2536500-B1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PLC (GB) 2016-12-07 EP disclosed
US-20130072722-A1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-21 US disclosed
EP-2536500-A1 SUPPORTED METAL CATALYSTS Johnson Matthey PLC (GB) 2012-12-26 EP disclosed
CN-102834174-A Supported metal catalysts JOHNSON MATTHEY PLC 2012-12-19 CN disclosed
WO-2011101679-A1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PLC (GB) 2011-08-25 WO disclosed
EP-1250353-B1 P21 DERIVED PEPTIDES CAPABLE OF INHIBITING CDK/CYCLIN COMPLEXES CYCLACEL LTD (GB) 2009-04-08 EP disclosed
US-7449544-B2 p21 peptides CYCLACEL LIMITED (GB) 2008-11-11 US disclosed
US-20060293245-A1 P21 derived peptides and uses thereof CYCLACEL LIMITED (GB) 2006-12-28 US disclosed
US-20050153894-A1 p21 peptides CYCLACEL LIMITED (GB) 2005-07-14 US disclosed
US-20040176301-A1 p21 peptides CYCLACEL LIMITED (GB) 2004-09-09 US disclosed
US-20030036628-A1 p21 peptides CYCLACEL LIMITED (GB) 2003-02-20 US disclosed
EP-1250353-A2 P21 DERIVED PEPTIDES CAPABLE OF INHIBITING CDK/CYCLIN COMPLEXES Cyclacel Limited (GB) 2002-10-23 EP disclosed
WO-2001040142-A2 P21 DERIVED PEPTIDES CAPABLE OF INHIBITING CDK/CYCLIN COMPLEXES CYCLACEL LIMITED (GB) 2001-06-07 WO disclosed
EP-0174375-A1 PROCESS FOR PREPARING N-ACYLPHENYLALANINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-03-19 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 (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-20130072722-A1 SUPPORTED METAL CATALYSTS SOD1, HNMT, SOD3 PPARG 4398/4885PPARA 3524/4885PDK1 2242/4885
US-20060293245-A1 P21 derived peptides and uses thereof CDK4, CDK2AP2, CDK2 PPARG 1480/4885PPARA 1893/4885PDK1 225/4885
US-20050153894-A1 p21 peptides CDK2, CDK4, CDKN1A PPARG 1481/4885PPARA 2118/4885PDK1 292/4885
US-20040176301-A1 p21 peptides CDK2, CDK4, CDKN1A PPARG 1481/4885PPARA 2118/4885PDK1 292/4885
US-20030036628-A1 p21 peptides CDK2, CDK4, CDKN1A PPARG 1481/4885PPARA 2118/4885PDK1 292/4885
US-20200231532-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 PPARG 4398/4885PPARA 3524/4885PDK1 2242/4885
US-20180099923-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 PPARG 4398/4885PPARA 3524/4885PDK1 2242/4885

“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.