Sugi Predict

Sugi Predict / Compounds / SCHEMBL2892971

SCHEMBL2892971

SCHEMBL2892971

CN1Cc2cc(-c3ccc(C[C@H](NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)ccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 9/20 0.48
▸ CTSK P43235 5/20 0.48
▸ SDCBP O00560 1/20 0.37
▸ SDC2 P34741 1/20 0.37
▸ REN P00797 1/20 0.36
▸ ITGA4 P13612 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ RET P07949 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ UGCG Q16739 4/20 0.34

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
SCHEMBL2892969 1.00 CTSC (0.48) CTSCCTSKSDCBPSDC2REN
SCHEMBL7877975 0.94 CTSC (0.55) CTSCCTSKSDCBPSDC2REN
SCHEMBL299705 0.89 CTSC (0.51) CTSCCTSKSDCBPSDC2TACR2
SCHEMBL9886055 0.88 CTSC (0.41) CTSCCTSKRENITGA4ITGB7
SCHEMBL2890558 0.87 CTSC (0.62) CTSCCTSK
SCHEMBL2890557 0.87 CTSC (0.62) CTSCCTSK
SCHEMBL9886044 0.86 CTSC (0.37) CTSCCTSKRENITGA4ITGB7
SCHEMBL2893115 0.83 CTSC (0.55) CTSCCTSKRENITGA4ITGB7
SCHEMBL2893116 0.83 CTSC (0.55) CTSCCTSKRENITGA4ITGB7
SCHEMBL16485778 0.83 ECE1 (0.35) CTSCCTSKRENITGA4ITGB7

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 3062/4885SDCBP 3898/4885
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 3062/4885SDCBP 3898/4885

“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.