SCHEMBL2851340

SCHEMBL2851340

Cc1ccc(S(=O)(=O)OC(=O)C[C@H](N)Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40
MMP9 P14780 1/20 0.40
MAPT P10636 2/20 0.40
CTSL P07711 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9453501 1.00 GAA (0.45) GAALMNAPLAUHPNBCHE
SCHEMBL1144622 0.82 ALDH1A1 (0.47) GAAALDH1A1RECQLCA2CA7
SCHEMBL28344807 0.82 ALPI (0.47) GAALMNAPLAUHPNBCHE
Ammonia Solution, Strong SCHEMBL20267961 0.81 ALPI (0.46) GAALMNAPLAUHPNBCHE
Ammonia Solution, Strong SCHEMBL20267854 0.81 ALPI (0.46) GAALMNAPLAUHPNBCHE
SCHEMBL10590019 0.80 ALDH1A1 (0.47) LMNAALDH1A1RECQLCA2CA7
SCHEMBL2853515 0.79 ALDH1A1 (0.50) GAAACHEALDH1A1CA2CA7
SCHEMBL5846632 0.79 ALDH1A1 (0.50) GAAACHEALDH1A1CA2CA7
SCHEMBL2851338 0.79 GAA (0.47) GAABCHEACHEALDH1A1RECQL
SCHEMBL27485100 0.77 EPHX1 (0.43) KMT2AEPHX1CYP1A2

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 GAA 3505/4885LMNA 1833/4885PLAU 4183/4885

“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.