SCHEMBL4623934

SCHEMBL4623934

C[C@H](O)Cc1ccc2c(c1)OC[C@H](C(=O)N[C@@H](C)c1ccccc1)O2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
CACNA1G O43497 3/20 0.43
MCHR1 Q99705 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL4624257 1.00 HPGD (0.52) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4623462 1.00 HPGD (0.52) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4625167 1.00 HPGD (0.52) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4625013 1.00 HPGD (0.52) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4625450 0.91 HPGD (0.51) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4624758 0.91 HPGD (0.53) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4623459 0.91 HPGD (0.51) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4624888 0.89 HPGD (0.49) HPGDHTTGAARAB9AALDH1A1
SCHEMBL4625575 0.87 HPGD (0.52) HPGDHTTGAARAB9AALDH1A1
SCHEMBL20703871 0.84 SMN1; SMN2 (0.57) HPGDHTTGAARAB9AMEN1

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-1020458-B1 OPTICALLY ACTIVE 1,4-BENZODIOXINE-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NISSHIN PHARMA INC (JP) 2008-05-07 EP disclosed
US-6509482-B2 Chemical intermediates for synthesis of optical isomers useful as prophylactic and therapeutic agents for diabetes and hyperglycemia NISSHIN PHARMA INC. (JP) 2003-01-21 US disclosed
US-20020028957-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same NISSHIN PHARMA INC. (JP) 2002-03-07 US disclosed
US-6329533-B2 CHEMICAL INTERMEDIATE FOR ANTIDIABETIC DRUG NISSHIN PHARMA INC. (JP) 2001-12-11 US disclosed
US-20010018529-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 2001-08-30 US disclosed
US-6222050-B1 AS CHEMICAL INTERMEDIATES USEFUL FOR SYNTHESIS OF (RRR)-OPTICAL ISOMERS OF 1,4-BENZODIOXIN-2-CARBOXYLIC ACID DERIVATIVES WHICH ARE USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA NISSHIN FLOUR MILLING CO., LTD. (JP) 2001-04-24 US disclosed
EP-1020458-A1 OPTICALLY ACTIVE 1,4-BENZODIOXINE-2-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Nisshin Flour Milling Co., Ltd. (JP) 2000-07-19 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-20020028957-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same GPR119, CBR1, ADH1C HPGD 607/4885HTT 4488/4885GAA 2251/4885
US-20010018529-A1 Optically active 1,4-benzodioxin-2-carboxylic acid derivatives and process for producing the same CBR1, GPR119, ADH1C HPGD 594/4885HTT 4503/4885GAA 1996/4885

“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.