Sugi Predict

Sugi Predict / Compounds / Aspirin

Aspirin

Aspirin

SCHEMBL23214416

CC(=O)Oc1ccccc1C(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Aspirin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 13/20 0.50
▸ PTGS1 known ✓ P23219 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ HMGB1 P09429 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GGT1 P19440 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ RECQL P46063 1/20 0.49
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
Salsalate SCHEMBL668243 0.84 KDM4E (0.52) PTGS2KDM4EHSD17B10HPGDALDH1A1
Phthalic Acid SCHEMBL5048545 0.83 ALDH1A1 (0.47) KDM4EHPGDALDH1A1TSHRBLM
Aspirin SCHEMBL10787619 0.83 PTGS2 (0.50) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL191054 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL162391 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL1457620 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL26228 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL7250097 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL21328428 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1
Aspirin SCHEMBL24830 0.82 KDM4E (0.67) PTGS2KDM4EHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058452-A1 PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID TORAY INDUSTRIES, INC. (JP) 2024-02-22 — — US disclosed
EP-4043007-A1 PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID Toray Industries, Inc. (JP) 2022-08-17 — — EP disclosed
CN-114502142-A Pharmaceutical compositions comprising temperature-responsive ionic liquids 东丽株式会社 2022-05-13 — — CN disclosed
WO-2021070893-A1 PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID 東レ株式会社 2021-04-15 — — 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-20240058452-A1 PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID SULT1A1, CYP2C19, SULT2A1 PTGS2 2070/4885PTGS1 1909/4885KDM4E 3065/4885

“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.