SCHEMBL6946381

SCHEMBL6946381

CC(C)(C)OC(=O)C(N)(CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
GRM6 O15303 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL27823794 0.91 CYP2C19 (0.56) CYP2C19HIF1AGRM6MAPTKMT2A
SCHEMBL6647551 0.91 CYP2C19 (0.56) CYP2C19HIF1AGRM6MAPTKMT2A
SCHEMBL6464415 0.91 CYP2C19 (0.56) CYP2C19HIF1AGRM6MAPTKMT2A
SCHEMBL3525214 0.85 ESR1 (0.44) CYP2C19HIF1ALMNATSHRKMT2A
SCHEMBL27573423 0.84 CYP2C19 (0.40) CYP2C19HIF1ACYP2C9SLC13A5CTSS
SCHEMBL1147792 0.84 MIF (0.50) CYP2C19HIF1ACYP2C9MAPTLMNA
SCHEMBL1147854 0.84 CYP2C19 (0.40) CYP2C19HIF1ACTSSCTSKMAPT
SCHEMBL1147458 0.84 CYP2C19 (0.40) CYP2C19HIF1AMAPTLMNANPC1
SCHEMBL390625 0.84 MIF (0.50) CYP2C19HIF1ACYP2C9MAPTLMNA
SCHEMBL1147825 0.83 CA1 (0.44) CYP2C19HIF1AMAPTLMNANPC1

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-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 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-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D CYP2C19 8/4885HIF1A 2609/4885GRM6 1506/4885

“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.