SCHEMBL4815008

SCHEMBL4815008

CCc1ccc[c]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HSD11B1 P28845 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
SCHEMBL7401991 0.80 GABRA1 (0.40) GABRA1GABRB2HSD11B1
SCHEMBL1845240 0.77
SCHEMBL17501914 0.74 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL28000923 0.74 GABRA1 (0.38) GABRA1GABRB2HSD11B1
SCHEMBL20739980 0.69
SCHEMBL984616 0.68 NR3C2 (0.38) GABRA1GABRB2
SCHEMBL16951213 0.67 AR (0.33)
SCHEMBL455634 0.66
SCHEMBL4585416 0.66 MAPT (0.33)
SCHEMBL4584818 0.66 MAPT (0.33)

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
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
US-20060205968-A1 Process for producing optically active beta-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-09-14 US disclosed
EP-1656342-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-05-17 EP disclosed
WO-2005016866-A2 PROCESS FOR PRODUCING OPTICALLY ACTIIVE BETA-AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-24 WO 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-20060205968-A1 Process for producing optically active beta-amino acid derivatives BCAT1, ALAD, AADAT GABRA1 423/4885GABRB2 815/4885HSD11B1 106/4885

“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.