SCHEMBL26891719

SCHEMBL26891719

O=C(O)c1ccc(-c2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(O)c4c3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.63
CTDSP1 Q9GZU7 2/20 0.63
NT5E P21589 2/20 0.62
ENPP2 Q13822 3/20 0.58
NSD2 O96028 2/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
CASP7 P55210 1/20 0.56
PTPN11 Q06124 1/20 0.56
PRMT1 Q99873 2/20 0.53
APEX1 P27695 1/20 0.48
MEN1 O00255 1/20 0.46
PSMD14 O00487 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KMT2A Q03164 1/20 0.46
SAE1 Q9UBE0 1/20 0.46

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
SCHEMBL26885948 0.95 NT5E (0.68) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL26885659 0.89 CASP6 (0.60) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL7814945 0.88 CASP6 (0.68) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL11211030 0.87 PRMT1 (0.67) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL10905567 0.87 CASP6 (0.67) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL6017879 0.86 CASP6 (0.84) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL11489790 0.86 PRMT1 (0.66) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL7897823 0.86 CASP6 (0.65) CASP6CTDSP1NT5EENPP2NSD2
SCHEMBL7795450 0.85 NT5E (0.56) CASP6CTDSP1NT5ENSD2DUSP3
SCHEMBL6568796 0.84 CASP6 (0.78) CASP6CTDSP1NT5EENPP2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 US 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 (1 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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 CASP6 2657/4885CTDSP1 328/4885NT5E 1825/4885

“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.