SCHEMBL17385607

SCHEMBL17385607

CC(C)NC(C(=O)O)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.57
PTGS2 P35354 1/20 0.57
OPRK1 P41145 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TDP1 Q9NUW8 10/20 0.55
BLM P54132 6/20 0.55
LMNA P02545 6/20 0.55
ADRA1A P35348 2/20 0.55
NR1I2 O75469 1/20 0.55
PTGS1 P23219 1/20 0.55
KDM4E B2RXH2 11/20 0.55
MAPT P10636 9/20 0.55
HIF1A Q16665 6/20 0.55
HSD17B10 Q99714 6/20 0.55
TSHR P16473 5/20 0.55
NFKB1 P19838 5/20 0.55
CYP1A2 P05177 4/20 0.55
GAA P10253 3/20 0.55
RXFP1 Q9HBX9 3/20 0.55
THPO P40225 3/20 0.55

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
SCHEMBL30268632 0.84 TDP1 (0.58) ADRB2PTGS2TDP1BLMLMNA
SCHEMBL10039785 0.84 TDP1 (0.58) ADRB2PTGS2TDP1BLMLMNA
SCHEMBL7270873 0.84 TDP1 (0.58) ADRB2PTGS2TDP1BLMLMNA
SCHEMBL7270905 0.84 TDP1 (0.58) ADRB2PTGS2TDP1BLMLMNA
SCHEMBL19422383 0.82 TDP1 (0.60) ADRB2PTGS2OPRK1SLC6A3TDP1
SCHEMBL10600115 0.81 TDP1 (0.55) ADRB2PTGS2OPRK1SLC6A3TDP1
SCHEMBL10763030 0.80 TDP1 (0.54) ADRB2PTGS2OPRK1SLC6A3TDP1
SCHEMBL10763032 0.80 TDP1 (0.54) ADRB2PTGS2OPRK1SLC6A3TDP1
SCHEMBL10805909 0.79 ADRA1A (0.54) ADRB2PTGS2OPRK1SLC6A3TDP1
SCHEMBL13957303 0.78 ADRA2C (0.48) TDP1LMNAADRA1AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2962687-B1 TAU AGGREGATION INHIBITOR THE DOSHISHA (JP) 2019-06-05 EP disclosed
US-9907799-B2 Tau aggregation inhibitor THE DOSHISHA (JP) 2018-03-06 US disclosed
US-20160030437-A1 TAU AGGREGATION INHIBITOR NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2016-02-04 US disclosed
EP-2962687-A1 TAU AGGREGATION INHIBITOR The Doshisha (JP) 2016-01-06 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-20160030437-A1 TAU AGGREGATION INHIBITOR MAPT, PSEN2, PSEN1 ADRB2 825/4885PTGS2 2578/4885OPRK1 1753/4885

“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.