SCHEMBL2237332

SCHEMBL2237332

CCOC(=O)[C@@H](N)CSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
PIN1 Q13526 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KIF11 P52732 1/20 0.44
FFAR1 O14842 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL7651607 1.00 MAOA (0.53) MAOAMAOBALDH1A1HPGDMTNR1A
SCHEMBL6221210 1.00 MAOA (0.53) MAOAMAOBALDH1A1HPGDMTNR1A
SCHEMBL7445938 0.86 ALDH1A1 (0.49) MAOAMAOBALDH1A1HPGDMTNR1A
SCHEMBL10977541 0.85 KIF11 (0.55) MAOAMAOBMTNR1AMTNR1BRAB9A
SCHEMBL2951317 0.85 KIF11 (0.55) MAOAMAOBMTNR1AMTNR1BRAB9A
Hydrochloric Acid SCHEMBL3610043 0.83 KIF11 (0.53) MAOAMAOBMTNR1AMTNR1BRAB9A
Hydrochloric Acid SCHEMBL3610046 0.83 KIF11 (0.53) MAOAMAOBMTNR1AMTNR1BRAB9A
SCHEMBL6840772 0.82 ALDH1A1 (0.47) MAOAMAOBALDH1A1MTNR1AMTNR1B
SCHEMBL13659834 0.81 MAOA (0.58) MAOAMAOBALDH1A1MTNR1AMTNR1B
SCHEMBL342512 0.80 MAOA (0.57) MAOAMAOBMTNR1AMTNR1BKIF11

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 claimed
US-20180099923-A1 Supported Metal Catalysts JOHNSON MATTHEY PLC (GB) 2018-04-12 US claimed
EP-2536500-B1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PLC (GB) 2016-12-07 EP claimed
US-20130072722-A1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-03-21 US claimed
EP-2536500-A1 SUPPORTED METAL CATALYSTS Johnson Matthey PLC (GB) 2012-12-26 EP claimed
WO-2011101679-A1 SUPPORTED METAL CATALYSTS JOHNSON MATTHEY PLC (GB) 2011-08-25 WO claimed
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
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 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-20130072722-A1 SUPPORTED METAL CATALYSTS SOD1, HNMT, SOD3 MAOA 40/4885MAOB 157/4885ALDH1A1 1906/4885
US-20200231532-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 MAOA 40/4885MAOB 157/4885ALDH1A1 1906/4885
US-20180099923-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 MAOA 40/4885MAOB 157/4885ALDH1A1 1906/4885

“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.