SCHEMBL12414718

SCHEMBL12414718

CC(C)C(=O)OC[C@@H](N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
SLC7A5 Q01650 2/20 0.33
TSHR P16473 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALOX15 P16050 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 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
SCHEMBL12414724 1.00 SCN4A (0.34) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL13030932 0.84 SLC7A5 (0.42) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL13030933 0.84 SLC7A5 (0.42) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28101728 0.81 ALOX15 (0.44) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL28101763 0.81 ALOX15 (0.44) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL13003643 0.81 TDP1 (0.42) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL7752717 0.80 PRKCA (0.33) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL7752719 0.80 PRKCA (0.33) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL17011092 0.80 GABRP (0.37) SCN4ASLC7A5TSHRALOX15GABRP
SCHEMBL20222522 0.80 GABRP (0.37) SCN4ASLC7A5TSHRALOX15GABRP

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-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SCN4A 1351/4885CYP1A2 278/4885CYP3A4 69/4885

“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.