SCHEMBL12396347

SCHEMBL12396347

CON(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
CTSK P43235 13/20 0.40
CTSS P25774 6/20 0.40
CACNA1B Q00975 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL2569629 1.00 JAK3 (0.50) JAK3BTKCTSKCTSSCACNA1B
SCHEMBL8382498 0.90 JAK3 (0.51) JAK3BTKCTSKCTSSCACNA1B
SCHEMBL7291726 0.90 JAK3 (0.51) JAK3BTKCTSKCTSSCACNA1B
SCHEMBL14923490 0.90 JAK3 (0.51) JAK3BTKCTSKCTSSCACNA1B
SCHEMBL19661523 0.87 JAK3 (0.49) JAK3BTKCTSKCTSSCACNA1B
SCHEMBL16170320 0.86 JAK3 (0.48) JAK3BTKCTSKCTSSCACNA1B
SCHEMBL836446 0.85 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL6631742 0.85 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL3745068 0.85 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL29168313 0.85 JAK3 (0.39) JAK3BTKCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 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-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B JAK3 1192/4885BTK 1414/4885CTSK 1861/4885

“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.