SCHEMBL2235690

SCHEMBL2235690

CC(=O)OC[C@H](Nc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 6/20 0.44
GAA P10253 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HSD17B10 Q99714 3/20 0.40
NAPRT Q6XQN6 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL27900644 1.00 ALDH1A1 (0.44) ALDH1A1MAPTGAAHSP90AA1HSD17B10
SCHEMBL7561838 0.83 MAPT (0.49) ALDH1A1MAPTGAAHSD17B10POLB
SCHEMBL26616888 0.83 MAPT (0.49) ALDH1A1MAPTGAAHSD17B10POLB
SCHEMBL27541360 0.81 PPARG (0.37) ALDH1A1MAPTGAAPOLBHPGD
SCHEMBL4527204 0.79 KEAP1 (0.50) ALDH1A1MAPTGAAHSP90AA1HPGD
SCHEMBL8530526 0.79 MAPK1 (0.39) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL27744373 0.79 KEAP1 (0.50) ALDH1A1MAPTGAAHSP90AA1HPGD
SCHEMBL4522437 0.79 KEAP1 (0.50) ALDH1A1MAPTGAAHSP90AA1HPGD
SCHEMBL8526965 0.78 ITGB1 (0.41) ALDH1A1MAPTGAAHSD17B10HPGD
SCHEMBL4526295 0.77 ALDH1A1 (0.50) ALDH1A1MAPTGAAHSD17B10NAPRT

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 14 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
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
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

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 ALDH1A1 1906/4885MAPT 2539/4885GAA 1669/4885
US-20060293245-A1 P21 derived peptides and uses thereof CDK4, CDK2AP2, CDK2 ALDH1A1 3629/4885MAPT 4602/4885GAA 3067/4885
US-20050153894-A1 p21 peptides CDK2, CDK4, CDKN1A ALDH1A1 3942/4885MAPT 4551/4885GAA 2982/4885
US-20040176301-A1 p21 peptides CDK2, CDK4, CDKN1A ALDH1A1 3942/4885MAPT 4551/4885GAA 2982/4885
US-20030036628-A1 p21 peptides CDK2, CDK4, CDKN1A ALDH1A1 3942/4885MAPT 4551/4885GAA 2982/4885
US-20200231532-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 ALDH1A1 1906/4885MAPT 2539/4885GAA 1669/4885
US-20180099923-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 ALDH1A1 1906/4885MAPT 2539/4885GAA 1669/4885

“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.