SCHEMBL4041452

SCHEMBL4041452

CC(C)CC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.49
CTSS P25774 9/20 0.41
CTSL P07711 9/20 0.41
CTSB P07858 4/20 0.41
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
UTS2R Q9UKP6 1/20 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
SCHEMBL4044582 0.92 CTSK (0.40) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4045678 0.91 CTSK (0.49) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4046943 0.88 CTSK (0.50) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4044864 0.88 CTSK (0.43) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4043689 0.85 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4050228 0.85 CTSK (0.49) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4046025 0.85 CTSK (0.49) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4045333 0.85 CTSK (0.53) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4050120 0.84 CTSK (0.51) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4045412 0.84 CTSK (0.48) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483273-B1 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2009-01-07 EP disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation BERENS ULRICH 2006-10-26 US disclosed
US-7094907-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2006-08-22 US disclosed
US-20040260091-A1 Ligands for asymmetric reactions SOLVIAS AG (CH) 2004-12-23 US disclosed
EP-1483273-A2 LIGANDS FOR ASYMMETRIC REACTIONS Solvias AG (CH) 2004-12-08 EP disclosed
WO-2003031456-A2 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2003-04-17 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-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation NR2E3, WNK2, OXSR1 CTSK 4836/4885CTSS 4874/4885CTSL 4885/4885
US-20040260091-A1 Ligands for asymmetric reactions COASY, ICMT, AP2M1 CTSK 2078/4885CTSS 670/4885CTSL 2871/4885

“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.