SCHEMBL1532632

SCHEMBL1532632

CCOC(=O)C[C@@H](O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
CETP P11597 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 2/20 0.34
CYP2D6 P10635 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
SCHEMBL16190580 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL195939 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19466094 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17275158 0.86 ALDH1A1 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286426 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18120819 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL899414 0.84 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9362556 0.84 NAAA (0.34) ALDH1A1TSHRTDP1CHRM1LMNA
SCHEMBL6328626 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10
SCHEMBL6322471 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736606-B1 Process for the enzymatic preparation of intermediates for the synthesis of befloxatone SANOFI SYNTHELABO (FR) 2002-01-02 EP claimed
US-5716841-A Process for the resolution of ethyl 4,4,4-trifluoro-3(R)-hydroxybutanoate using lipase from candida SYNTHELABO (FR) 1998-02-10 US claimed
JP-8289799-A None JP disclosed
CN-118307409-A Asymmetric synthesis method of beta-hydroxy acid ester with optical purity 河北悦民生化有限公司 2024-07-09 CN disclosed
CN-104630242-B A kind of carbonyl reduction enzyme gene, codase, carrier, engineering bacteria and its application 浙江工业大学 2017-12-05 CN disclosed
CN-104630242-A Carbonyl reductase gene, codase, vector, engineering bacterium and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-05-20 CN disclosed
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
EP-2308861-A1 Macrocyclic compounds useful as pharmaceuticals Eisai R&D Management Co., Ltd. (JP) 2011-04-13 EP disclosed
US-5716841-A Process for the resolution of ethyl 4,4,4-trifluoro-3(R)-hydroxybutanoate using lipase from candida SYNTHELABO (FR) 1998-02-10 US disclosed
EP-0617109-B1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-09-17 EP disclosed
JP-H08289799-A ENZYMATIC PRODUCTION OF INTERMEDIATE IN SYNTHESIZING BEFLOXATONE SYNTHELABO SA 1996-11-05 JP disclosed
US-5422039-A Having a chiral center-containing a tetralinylene ring as well as a second chiral center; cells having high temperature operating range; high switching speed, low voltage and stable contrast MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-06-06 US disclosed
US-5356561-A Carboxylate compounds, liquid crystal compositions and liquid crystal elements containing said compounds and method of optical modulation using said elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-10-18 US disclosed
EP-0617109-A1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP disclosed
EP-0484849-B1 Optically active alcohol, process for producing same and liquid crystal compound using same MITSUBISHI GAS CHEMICAL CO (JP) 1994-08-31 EP disclosed
US-5264150-A Fluorinated, ether aromatic ester compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-11-23 US disclosed
EP-0484849-A1 Optically active alcohol, process for producing same and liquid crystal compound using same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-05-13 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA GAA 1289/4885MGAM 4244/4885SI 4591/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 GAA 799/4885MGAM 3001/4885SI 3376/4885

“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.