SCHEMBL3869874

SCHEMBL3869874

Nc1cc(C(F)(F)C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KIF11 P52732 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
SCHEMBL30891616 0.93 TSHR (0.37) TSHRMAPK1ALDH1A1MAPT
SCHEMBL8999963 0.91 TSHR (0.33) TSHRMAPK1
SCHEMBL30891614 0.91 TSHR (0.35) TSHRMAPK1
SCHEMBL5185127 0.86 TSHR (0.35) TSHRMAPK1
SCHEMBL5185100 0.86 TSHR (0.35) TSHRMAPK1
SCHEMBL5186928 0.86 TSHR (0.35) TSHRMAPK1
SCHEMBL8999948 0.85 TSHR (0.32) TSHRMAPK1
SCHEMBL8999917 0.83 TSHR (0.46) TSHRMAPK1ALDH1A1MAPTKIF11
SCHEMBL9000012 0.83 TSHR (0.46) TSHRMAPK1ALDH1A1MAPTKIF11
SCHEMBL29140658 0.79 TSHR (0.41) TSHRMAPK1ALDH1A1MAPTKIF11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626034-B2 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-12-01 US disclosed
EP-2100875-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives Takasago International Corporation (JP) 2009-09-16 EP disclosed
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
US-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20060205968-A1 Process for producing optically active beta-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-09-14 US disclosed
EP-1685092-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-08-02 EP disclosed
EP-1656342-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-05-17 EP disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 WO 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 (2 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 TSHR 4691/4885MAPK1 838/4885ALDH1A1 148/4885
US-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives AADAT, BCAT2, BCAT1 TSHR 1734/4885MAPK1 1309/4885ALDH1A1 326/4885

“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.