SCHEMBL2853698

SCHEMBL2853698

CC(=O)OC(=O)CC(N)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.39
▸ ANPEP P15144 5/20 0.37
▸ ERAP1 Q9NZ08 2/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ TSHR P16473 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNB3 P54284 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PGR P06401 1/20 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
SCHEMBL9643601 0.79 SLC7A5 (0.41) SLC7A5ANPEPERAP1ERAP2TSHR
SCHEMBL2852898 0.79 SLC7A5 (0.41) SLC7A5ANPEPERAP1ERAP2TSHR
SCHEMBL5787794 0.79 ALDH1A1 (0.38) TSHRALDH1A1TDP1LMNA
SCHEMBL24387596 0.79 SLC7A5 (0.41) SLC7A5ANPEPERAP1ERAP2TSHR
SCHEMBL5813287 0.79 TSHR (0.41) SLC7A5TSHRALDH1A1TDP1MAPT
SCHEMBL27464717 0.79 TSHR (0.41) SLC7A5TSHRALDH1A1TDP1MAPT
SCHEMBL2855141 0.79 TSHR (0.41) SLC7A5TSHRALDH1A1TDP1MAPT
SCHEMBL8339335 0.78 ALDH1A1 (0.50) TSHRCYP2D6ALDH1A1TDP1
Hydrochloric Acid SCHEMBL29637163 0.78 LMNA (0.40) SLC7A5ANPEPERAP1ERAP2TSHR
Hydrochloric Acid SCHEMBL27553846 0.77 SOAT1 (0.45) SLC7A5ANPEPERAP1ERAP2TSHR

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
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

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 SLC7A5 18/4885ANPEP 385/4885ERAP1 1955/4885

“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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