SCHEMBL5718255

SCHEMBL5718255

Cc1ccc(C(=O)C(O)(C(=O)O)[C@](O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.59
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
LMNA P02545 3/20 0.52
SRD5A2 P31213 1/20 0.50
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46
ATM Q13315 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NLRP1 Q9C000 1/20 0.46
GAA P10253 1/20 0.46
NTSR1 P30989 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45

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
SCHEMBL72170 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL3777741 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL29229502 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL2986282 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL1654584 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL21835627 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL1322817 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL21457923 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL21457922 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL2854360 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852171-A Non-azolanet Process for the preparation of tam 成都科圣原医药科技有限公司 2024-10-29 CN claimed
EP-3280701-B1 A METHOD OF CHIRAL RESOLUTION OF THE KEY INTERMEDIATE OF THE SYNTHESIS OF APREMILAST AND ITS USE FOR THE PREPARATION OF PURE APREMILAST ZENTIVA KS (CZ) 2019-10-16 EP claimed
US-11844786-B2 Uses of combinations (+)-α-dihydrotetrabenazine and (−)-α-dihydrotetrabenazine in methods of treating movement disorder ADEPTIO PHARMACEUTICALS LIMITED (GB) 2023-12-19 US disclosed
EP-4168390-A1 ANTI-INFLAMMATORY COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BIOHORM, S.L. (ES) 2023-04-26 EP disclosed
WO-2021259860-A1 ANTI-INFLAMMATORY COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BIOHORM, S.L. (ES) 2021-12-30 WO disclosed
EP-3929179-A1 ANTI-INFLAMMATORY COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BIOHORM, S.L. (ES) 2021-12-29 EP disclosed
US-11065232-B2 Dihydrotetrabenazine for the treatment of anxiety and psychoses ADEPTIO PHARMACEUTICALS LIMITED (GB) 2021-07-20 US disclosed
US-10668052-B2 Combinations of isomers of dihydrotetrabenazine ADEPTIO PHARMACEUTICALS LIMITED (GB) 2020-06-02 US disclosed
EP-3606530-A2 DIHYDROTETRABENAZINE FOR USE IN THE TREATMENT A MOVEMENT DISORDER Adeptio Pharmaceuticals Limited (GB) 2020-02-12 EP disclosed
US-20200038384-A1 DIHYDROTETRABENAZINE FOR THE TREATMENT OF ANXIETY AND PSYCHOSES ADEPTIO PHARMACEUTICALS LIMITED (GB) 2020-02-06 US disclosed
CN-110691596-A Pharmaceutical composition 阿德普蒂奥制药有限公司 2020-01-14 CN disclosed
EP-3280701-B1 A METHOD OF CHIRAL RESOLUTION OF THE KEY INTERMEDIATE OF THE SYNTHESIS OF APREMILAST AND ITS USE FOR THE PREPARATION OF PURE APREMILAST ZENTIVA KS (CZ) 2019-10-16 EP disclosed
US-20180280359-A1 PHARMACEUTICAL COMPOSITIONS ADEPTIO PHARMACEUTICALS LIMITED (JP) 2018-10-04 US disclosed
US-20180280361-A1 PHARMACEUTICAL COMPOSITIONS ADEPTIO PHARMACEUTICALS LIMITED (GB) 2018-10-04 US disclosed
WO-2018178243-A2 PHARMACEUTICAL COMPOSITIONS ADEPTIO PHARMACEUTICALS LIMITED (GB) 2018-10-04 WO disclosed
US-7141560-B2 Alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics AKZO NOBEL N.V. (NL) 2006-11-28 US disclosed
EP-1373188-B1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS AKZO NOBEL NV (NL) 2006-06-07 EP disclosed
US-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics N.V. ORGANON (NL) 2004-03-25 US disclosed
EP-1373188-A1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS Akzo Nobel N.V. (NL) 2004-01-02 EP disclosed
WO-2002057218-A1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS AKZO NOBEL N.V. (NL) 2002-07-25 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 (7 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-20180280361-A1 PHARMACEUTICAL COMPOSITIONS HTR5A, COMT, GRM5 CA2 2872/4885ALDH1A1 1324/4885SMN1; SMN2 213/4885
US-11844786-B2 Uses of combinations (+)-α-dihydrotetrabenazine and (−)-α-dihydrotetrabenazine in methods of treating movement disorder HTT, COMT, NDUFB5 CA2 2775/4885ALDH1A1 703/4885SMN1; SMN2 142/4885
US-11065232-B2 Dihydrotetrabenazine for the treatment of anxiety and psychoses ADRB1, ADRB2, DBH CA2 3801/4885ALDH1A1 227/4885SMN1; SMN2 1305/4885
US-20180280359-A1 PHARMACEUTICAL COMPOSITIONS HTT, CHRNA5, COMT CA2 3074/4885ALDH1A1 1382/4885SMN1; SMN2 202/4885
US-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics OPRM1, OPRD1, OPRK1 CA2 130/4885ALDH1A1 286/4885SMN1; SMN2 794/4885
US-20200038384-A1 DIHYDROTETRABENAZINE FOR THE TREATMENT OF ANXIETY AND PSYCHOSES ADRB1, ADRB2, DBH CA2 3801/4885ALDH1A1 227/4885SMN1; SMN2 1305/4885
US-10668052-B2 Combinations of isomers of dihydrotetrabenazine COMT, QDPR, HTT CA2 3797/4885ALDH1A1 952/4885SMN1; SMN2 317/4885

“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.