SCHEMBL17240285

SCHEMBL17240285

CC(C)C(N)C(=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CYP2D6 P10635 1/20 0.32
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
DGAT1 O75907 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
LAP3 P28838 1/20 0.30

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
SCHEMBL10608008 1.00 SLC7A5 (0.41) SLC7A5CA1CA2CA7NOS1
SCHEMBL10606693 0.85 NOS1 (0.33) SLC7A5CA1CA2CA7NOS1
SCHEMBL29488702 0.82 DGAT1 (0.33) CA1CA2CA7NOS1NOS3
SCHEMBL919727 0.77 NOS1 (0.46) SLC7A5CA1CA2CA7NOS1
SCHEMBL320155 0.77 NOS1 (0.46) SLC7A5CA1CA2CA7NOS1
SCHEMBL311871 0.77 NOS1 (0.46) SLC7A5CA1CA2CA7NOS1
SCHEMBL1089194 0.77 DGAT1 (0.36) CA1CA2CA7CYP2D6DGAT1
Hydrochloric Acid SCHEMBL146833 0.76 NOS1 (0.45) SLC7A5CA1CA2CA7NOS1
Hydrochloric Acid SCHEMBL919725 0.76 NOS1 (0.45) SLC7A5CA1CA2CA7NOS1
Hydrochloric Acid SCHEMBL146832 0.76 NOS1 (0.45) SLC7A5CA1CA2CA7NOS1

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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD SLC7A5 688/4885CA1 1091/4885CA2 341/4885

“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.