SCHEMBL3436035

SCHEMBL3436035

COC(=O)[C@H](CO)NC(=O)c1ccc(OC)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
NNMT P40261 1/20 0.50
GABRA5 P31644 5/20 0.47
GABRA1 P14867 2/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
ROCK2 O75116 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL23628709 0.81 GABRA5 (0.56) GRNSORT1NNMTGABRA5GABRA1
SCHEMBL20812214 0.81 NNMT (0.60) GRNSORT1NNMTGABRA5GABRA1
SCHEMBL5784282 0.78 NNMT (0.50) GRNSORT1NNMTGABRA5GABRA1
SCHEMBL23628710 0.78 NNMT (0.50) GRNSORT1NNMTGABRA5GABRA1
SCHEMBL2079997 0.78 TAS1R3 (0.44) TAS1R3TAS1R1GAARAB9A
SCHEMBL13885653 0.77 LNPEP (0.56) TAS1R3TAS1R1GAARAB9A
SCHEMBL12983607 0.77 TAS1R3 (0.52) TAS1R3TAS1R1GAARAB9A
SCHEMBL12983609 0.77 TAS1R3 (0.52) TAS1R3TAS1R1GAARAB9A
SCHEMBL702548 0.77 TAS1R3 (0.63) GRNSORT1NNMTGABRA1TAS1R3
SCHEMBL1882423 0.76 NNMT (0.67) NNMTGABRA1GAARAB9AMKNK1

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 GRN 4687/4885SORT1 3791/4885NNMT 245/4885

“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.