SCHEMBL3435841

SCHEMBL3435841

COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(C(=O)O)cs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
ACKR3 P25106 2/20 0.38
GPR119 Q8TDV5 8/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
FEN1 P39748 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
SCHEMBL3435196 0.89 NR1H2 (0.43) USP30HRH3
SCHEMBL778807 0.83 GPR119 (0.42) USP30GPR119HDAC6HDAC8
SCHEMBL29064995 0.77 ADORA2A (0.43)
SCHEMBL30295682 0.77 ADORA2A (0.43)
SCHEMBL13129749 0.77 CKS1B (0.46) ACKR3GPR119HRH3
SCHEMBL780839 0.77 GPR119 (0.41) USP30GPR119
SCHEMBL31045829 0.76 GPR119 (0.51) GPR119
SCHEMBL13634351 0.75 PDK1 (0.38) IRAK4
SCHEMBL38661882 0.75 GPR119 (0.46) USP30GPR119
SCHEMBL3435910 0.75 PDK1 (0.38) IRAK4

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 USP30 1813/4885ACKR3 224/4885GPR119 77/4885

“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.