SCHEMBL4659641

SCHEMBL4659641

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nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
BIRC2 Q13490 1/20 0.39
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
SCHEMBL4660645 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4661948 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL3898983 0.84 L3MBTL1 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13198959 0.84 CA1 (0.42) SMN1; SMN2CA1CA2BIRC2CA12
SCHEMBL3241409 0.83 TAS1R3 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL711890 0.83 TAS1R3 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13993116 0.82 CA1 (0.41) SMN1; SMN2CA1CA2BIRC2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 US disclosed
US-20130190533-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES UCB PHARMA GMBH (DE) 2013-07-25 US disclosed
WO-2011146974-A1 METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES MONASH UNIVERSITY (AU) 2011-12-01 WO disclosed
EP-1279660-B1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of an optically active transition metal complex containing a phosphine-phosphorane compound and rhodium TAKASAGO PERFUMERY CO LTD (JP) 2008-12-17 EP disclosed
US-6855847-B2 Process for producing optically active amide from α β- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-15 US disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 EP 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-20130190533-A1 PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES BCAT2, BCAT1, HNMT SMN1; SMN2 1255/4885KDM4E 1214/4885MAPT 1547/4885
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 SMN1; SMN2 2984/4885KDM4E 4438/4885MAPT 3373/4885

“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.