SCHEMBL19321968

SCHEMBL19321968

Cc1ccc(C(=O)OCCCN(C)C)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
ALDH1A1 P00352 3/20 0.59
PHLPP2 Q6ZVD8 1/20 0.51
HTR7 P34969 1/20 0.50
ESR1 P03372 2/20 0.48
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
LMNA P02545 3/20 0.46
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
CYP1A2 P05177 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
MAOA P21397 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL19321966 0.91 PHLPP2 (0.62) GAAALDH1A1PHLPP2HTR7MAPK1
SCHEMBL9629064 0.85 GAA (0.84) GAAALDH1A1PHLPP2ESR1MAPK1
SCHEMBL19317264 0.85 GAA (0.57) GAAALDH1A1PHLPP2HTR7ESR1
SCHEMBL8931778 0.84 ESR1 (0.50) GAAALDH1A1ESR1MAPTPOLB
SCHEMBL14924442 0.83 GAA (0.74) GAAALDH1A1PHLPP2ESR1MAPK1
SCHEMBL19354875 0.83 GAA (0.54) GAAALDH1A1PHLPP2HTR7ESR1
SCHEMBL9005198 0.81 ESR1 (0.68) ALDH1A1ESR1MAPK1MAPTLMNA
SCHEMBL5452825 0.81 GAA (0.72) GAAALDH1A1PHLPP2ESR1MAPK1
SCHEMBL9005143 0.80 ESR1 (0.70) ALDH1A1ESR1MAPK1MAPTLMNA
SCHEMBL29024895 0.80 GAA (0.51) GAAALDH1A1PHLPP2HTR7ESR1

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
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 GAA 1589/4885ALDH1A1 295/4885PHLPP2 3952/4885

“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.