Sugi Predict

Sugi Predict / Compounds / SCHEMBL2885215

SCHEMBL2885215

SCHEMBL2885215

CN1Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)cc3)cnc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 19/20 0.54
▸ CTSK P43235 5/20 0.54
▸ KCNH2 Q12809 1/20 0.41
▸ LTB4R Q15722 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ RET P07949 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
SCHEMBL2885213 1.00 CTSC (0.54) CTSCCTSKKCNH2LTB4RLTB4R2
SCHEMBL16485782 0.93 CTSC (0.48) CTSCCTSKKCNH2RET
SCHEMBL2890557 0.88 CTSC (0.62) CTSCCTSKKCNH2LTB4RLTB4R2
SCHEMBL2890558 0.88 CTSC (0.62) CTSCCTSKKCNH2LTB4RLTB4R2
SCHEMBL9886055 0.88 CTSC (0.41) CTSCCTSKRET
SCHEMBL16478185 0.87 RET (0.40) CTSCCTSKRET
SCHEMBL16485829 0.84 CTSC (0.40) CTSCCTSKKCNH2RET
SCHEMBL2890767 0.84 CTSC (0.74) CTSCCTSKKCNH2LTB4RLTB4R2
SCHEMBL2890772 0.84 CTSC (0.74) CTSCCTSKKCNH2LTB4RLTB4R2
SCHEMBL16478183 0.82 RET (0.39) CTSCCTSKRET

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 8 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
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 — — US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 — — US 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
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — US 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 1989/4885CTSK 3062/4885KCNH2 332/4885
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 1989/4885CTSK 3062/4885KCNH2 332/4885

“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.