SCHEMBL17891971

SCHEMBL17891971

CCC#COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
MPI P34949 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.39

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
Acetic Acid SCHEMBL30040945 0.92 KMT2A (0.41) ALDH1A1GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL273450 0.86 CA12 (0.41) ALDH1A1GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL5332415 0.79 GAA (0.46) ALDH1A1GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL1603835 0.77 GAA (0.41) ALDH1A1GAASMN1; SMN2PKMCYP3A4
SCHEMBL2848424 0.75 CA12 (0.40) ALDH1A1GAALMNAL3MBTL1HTT
SCHEMBL31438232 0.73 STAT3 (0.38) ALDH1A1GAASMN1; SMN2CYP3A4CYP2C9
SCHEMBL12611117 0.73 STAT3 (0.38) ALDH1A1GAASMN1; SMN2CYP3A4CYP2C9
SCHEMBL5212059 0.73 GAA (0.48) ALDH1A1GAASMN1; SMN2MAPTMAPK1
SCHEMBL9341811 0.73 GAA (0.48) ALDH1A1GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL9770800 0.72 GAA (0.46) ALDH1A1GAASMN1; SMN2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084876-A Construction method of indole 3 a-aryl hydroindolone carbon skeleton 宁夏大学 2024-05-28 CN claimed
CN-116970015-A Fluorinated monosaccharide derivative and synthetic method and application thereof 中国科学院精密测量科学与技术创新研究院 2023-10-31 CN claimed
CN-118084876-A Construction method of indole 3 a-aryl hydroindolone carbon skeleton 宁夏大学 2024-05-28 CN disclosed
CN-118084876-A Construction method of indole 3 a-aryl hydroindolone carbon skeleton 宁夏大学 2024-05-28 CN disclosed
CN-116970015-A Fluorinated monosaccharide derivative and synthetic method and application thereof 中国科学院精密测量科学与技术创新研究院 2023-10-31 CN disclosed
US-20230210999-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM EUBULUS BIOTHERAPEUTICS (HONG KONG) LIMITED (HK) 2023-07-06 US disclosed
EP-4134104-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM Eubulus Biotherapeutics Inc. (CN) 2023-02-15 EP disclosed
WO-2016107578-A1 HALOGENATED S-(PERFLUOROALKYL) DIBENZOTHIOPHENIUM SALT AND ITS PRODUCTION METHODS ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2016-07-07 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-20230210999-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM UCHL3, UBE2L3, ADAM33 ALDH1A1 2539/4885GAA 520/4885SMN1; SMN2 2462/4885

“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.