Sugi Predict

Sugi Predict / Compounds / SCHEMBL290127

SCHEMBL290127

SCHEMBL290127

N#CC(Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)NC(=O)C1(NC(=O)O)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 10/20 0.54
▸ KCNH2 Q12809 2/20 0.51
▸ LTB4R Q15722 1/20 0.51
▸ LTB4R2 Q9NPC1 1/20 0.51
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CTSK P43235 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 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
SCHEMBL289040 0.96 CTSC (0.57) CTSCKCNH2LTB4RLTB4R2GAA
SCHEMBL2890331 0.93 CTSC (0.51) CTSCKCNH2LTB4RLTB4R2ALDH1A1
SCHEMBL7873696 0.88 CTSC (0.47) CTSCKCNH2LTB4RLTB4R2GAA
SCHEMBL289559 0.86 CTSC (0.70) CTSCKCNH2LTB4RLTB4R2GAA
SCHEMBL2892631 0.86 CTSC (0.56) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL289560 0.86 CTSC (0.70) CTSCKCNH2LTB4RLTB4R2GAA
SCHEMBL299110 0.85 ALDH1A1 (0.51) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL7864104 0.83 CTSC (0.52) CTSCKCNH2LTB4RLTB4R2ALDH1A1
Trifluoroacetic Acid SCHEMBL2891078 0.83 CTSC (0.66) CTSCKCNH2LTB4RLTB4R2GAA
SCHEMBL290432 0.83 CTSL (0.46) GAALMNAALDH1A1MEN1KMT2A

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-20120329775-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 FORD RHONAN (GB) 2012-12-27 — — US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 — — US disclosed
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 — — EP disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — WO disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — 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 (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-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 CTSC 1989/4885KCNH2 332/4885LTB4R 881/4885
US-20120329775-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 CTSC 1989/4885KCNH2 332/4885LTB4R 881/4885

“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.