SCHEMBL2238482

SCHEMBL2238482

O=C(O)C(Cc1ccccc1)N(Cl)Cl.O=C(O)C(Cc1ccccc1)NCl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PTPN1 P18031 1/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.46
MMP2 P08253 4/20 0.44
MMP9 P14780 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADAMTS4 O75173 1/20 0.44
FOLH1 Q04609 1/20 0.44
FPR2 P25090 1/20 0.44
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 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
SCHEMBL2238484 1.00 MME (0.48) MMENPSR1PTPN1NAALAD2MMP2
SCHEMBL296747 0.88 CYP1A2 (0.55) NPSR1CYP1A2FOLH1CPA1
SCHEMBL3724926 0.88 CYP1A2 (0.55) NPSR1CYP1A2FOLH1CPA1
SCHEMBL1573822 0.88 CYP1A2 (0.55) NPSR1CYP1A2FOLH1CPA1
SCHEMBL468451 0.87 MME (0.59) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL2782953 0.87 MME (0.59) MMENPSR1NAALAD2MMP2MMP9
SCHEMBL468452 0.87 MME (0.59) MMENPSR1NAALAD2MMP2MMP9
Hydrochloric Acid SCHEMBL11661899 0.85 MME (0.57) MMENPSR1NAALAD2MMP2MMP9
Hydrochloric Acid SCHEMBL4853154 0.85 MME (0.57) MMENPSR1NAALAD2MMP2MMP9
Hydrochloric Acid SCHEMBL4853148 0.85 MME (0.57) MMENPSR1NAALAD2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MME 936/4885NPSR1 2940/4885PTPN1 4810/4885
US-20180099923-A1 Supported Metal Catalysts SOD1, HNMT, SOD3 MME 936/4885NPSR1 2940/4885PTPN1 4810/4885

“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.