SCHEMBL68973

SCHEMBL68973

O=C(O)Cc1ccc(CC(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 5/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
POLB P06746 4/20 0.50
RECQL P46063 2/20 0.50
APEX1 P27695 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
RPS6KB2 Q9UBS0 1/20 0.49
BLM P54132 2/20 0.46
AKR1B1 P15121 3/20 0.46
ACACA Q13085 2/20 0.44
CA2 P00918 1/20 0.42

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
SCHEMBL13065318 0.91 HPGD (0.52) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL16564292 0.89 HPGD (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL11626640 0.89 HPGD (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL6081236 0.89 HPGD (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL8437531 0.89 HPGD (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL9880895 0.89 HPGD (0.50) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL1247069 0.87 HPGD (0.49) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL16564107 0.87 HPGD (0.49) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL2127658 0.85 RPS6KB2 (0.56) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL16564192 0.85 HPGD (0.47) HPGDKMT2AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN claimed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN claimed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108530244-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN disclosed
US-10975099-B2 Thiophene compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2021-04-13 US disclosed
US-10975099-B2 Thiophene compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2021-04-13 US disclosed
US-20200325157-A1 Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-15 US disclosed
US-20200325157-A1 Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-15 US disclosed
EP-2236508-B1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON DICKINSON CO (US) 2015-08-26 EP disclosed
US-6740760-B2 SUCH AS 1-((S)-3-MERCAPTO-2-METHYL-PROPIONYL)-(R)-PYRROL-IDINE-2-CARBOXYLIC ACID FOR TREATING DISEASES ASSOCIATED WITH AMYLOIDOSIS (ALZHEIMER'S DISEASE, DIABETES, AND FAMILIAL AMYLOID POLYNEUROPATHY) HOFFMANN-LA ROCHE INC. 2004-05-25 US disclosed
US-20030100770-A1 Such as 1-((S)-3-mercapto-2-methyl-propionyl)-(R)-pyrrol-idine-2-carboxylic acid for treating diseases associated with amyloidosis (Alzheimer's disease, diabetes, and familial amyloid polyneuropathy) PENTRAXIN THERAPEUTICS LTD. (GB) 2003-05-29 US disclosed
US-6512001-B1 To treat diseases associated with amyloidosis, such as Alzheimer's disease HOFFMANN-LA ROCHE INC. 2003-01-28 US disclosed
EP-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP disclosed
US-6262089-B1 USING THESE COMPOUNDS TO TREAT DISEASES ASSOCIATED WITH AMYLOIDOSIS, SUCH AS ALZHEIMER'S DISEASE, MATURITY ONSET DIABETES MELLITUS, FAMILIAL AMYLOID POLYNEUROPATHY, SCRAPIE, AND KREUZFELD-JACOB DISEASE. HOFFMAN-LA ROCHE INC. 2001-07-17 US disclosed
US-6103910-A FOR TREATMENT OF DISEASES ASSOCIATED WITH AMYLOIDOSIS, SUCH AS ALZHEIMER'S DISEASE, DIABETES MELLITUS, FAMILIAL AMYLOID POLYNEUROPATHY, SCRAPIE, AND KREUZFELD-JACOB DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US disclosed
CN-1217327-A D-proline derivative HOFFMANN LA ROCHE (CH) 1999-05-26 CN disclosed
EP-0915088-A1 D-Proline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 EP disclosed
US-5536724-A Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins SRI INTERNATIONAL (US) 1996-07-16 US 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 (3 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-20030100770-A1 Such as 1-((S)-3-mercapto-2-methyl-propionyl)-(R)-pyrrol-idine-2-carboxylic acid for treating diseases associated with amyloidosis (Alzheimer's disease, diabetes, and familial amyloid polyneuropathy) PSEN1, PSEN2, IAPP HPGD 1894/4885KMT2A 2513/4885MAPT 23/4885
US-20200325157-A1 Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods OPRK1, OPRM1, OPRD1 HPGD 1060/4885KMT2A 2938/4885MAPT 495/4885
US-10975099-B2 Thiophene compounds for long-acting injectable compositions and related methods OPRK1, OPRM1, OPRD1 HPGD 684/4885KMT2A 2625/4885MAPT 474/4885

“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.