SCHEMBL21753645

SCHEMBL21753645

CC(=O)OCC(O)C(O)(C(C)=O)C(O)(C(C)=O)C(O)(C(C)=O)C(=O)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30346659 1.00 TDP1 (0.31) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL30346501 1.00 TDP1 (0.31) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL30346502 1.00 TDP1 (0.31) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL28914556 0.84 TDP1 (0.31) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL30151172 0.84 TDP1 (0.31) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL8829437 0.84 TDP1 (0.31) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL31707312 0.82
SCHEMBL9141103 0.82
SCHEMBL1491885 0.76
SCHEMBL16267436 0.76

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
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
CN-110218231-B Cyclobutane dicarboxylic acid platinum complex, intermediate thereof, preparation method thereof, pharmaceutical composition and application thereof 天津谷堆生物医药科技有限公司 2023-03-24 CN disclosed
CN-110857285-B Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof 江苏万高药业股份有限公司 2022-12-20 CN disclosed
US-20220372058-A1 Substituted Pyrazole Compound, Preparation Method Therefor, Pharmaceutical Composition and Medical Use Thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD (CN) 2022-11-24 US disclosed
CN-113004350-A Mannose-modified azide exosome and application thereof 中国科学院重庆绿色智能技术研究院 2021-06-22 CN disclosed
CN-110857285-A Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof 天津谷堆生物医药科技有限公司 2020-03-03 CN disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 WO disclosed
CN-110218231-A Cyclobutane dicarboxylic acid platinum complex, wherein mesosome, preparation method, pharmaceutical composition and purposes 天津谷堆生物医药科技有限公司 2019-09-10 CN 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-20220372058-A1 Substituted Pyrazole Compound, Preparation Method Therefor, Pharmaceutical Composition and Medical Use Thereof FARS2, GOT2, HADHB TDP1 564/4885USP2 4228/4885ALDH1A1 2197/4885
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB TDP1 564/4885USP2 4228/4885ALDH1A1 2197/4885

“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.