SCHEMBL2855141

SCHEMBL2855141

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA4 P48169 2/20 0.34
▸ GABRE P78334 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34
▸ GABRG1 Q8N1C3 2/20 0.34
▸ GABRG3 Q99928 2/20 0.34
▸ GABRQ Q9UN88 2/20 0.34

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
SCHEMBL27464717 1.00 TSHR (0.41) TSHRALDH1A1TDP1HSD17B10GABRP
SCHEMBL5813287 1.00 TSHR (0.41) TSHRALDH1A1TDP1HSD17B10GABRP
SCHEMBL6685368 0.82 ALDH1A1 (0.38) TSHRALDH1A1TDP1HSD17B10SLC7A5
SCHEMBL2859788 0.82 ALDH1A1 (0.38) TSHRALDH1A1TDP1HSD17B10SLC7A5
SCHEMBL27510638 0.81 ALDH1A1 (0.39) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL8339335 0.80 ALDH1A1 (0.50) TSHRALDH1A1TDP1HSD17B10
SCHEMBL27643499 0.79 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2853698 0.79 SLC7A5 (0.39) TSHRALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL8113992 0.78 ALDH1A1 (0.43) TSHRALDH1A1TDP1HSD17B10CHRM2
SCHEMBL5787794 0.77 ALDH1A1 (0.38) TSHRALDH1A1TDP1HSD17B10GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100875-B1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO PERFUMERY CO LTD (JP) 2016-11-16 — — EP disclosed
EP-1685092-B1 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO PERFUMERY CO LTD (JP) 2010-01-13 — — EP disclosed
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-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 — — 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
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-2004085661-A2 PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES MERCK & CO., INC (US) 2004-10-07 — — 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-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives AADAT, BCAT2, BCAT1 TSHR 1734/4885ALDH1A1 326/4885TDP1 4621/4885

“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.

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