SCHEMBL14646635

SCHEMBL14646635

CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CC(=O)O)C(=O)CF

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 18/20 0.56
▸ CASP7 P55210 2/20 0.55
▸ CASP9 P55211 2/20 0.55
▸ CASP6 P55212 2/20 0.55
▸ CASP8 Q14790 2/20 0.55
▸ CASP1 P29466 1/20 0.55

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
SCHEMBL24213871 1.00 CASP3 (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL17494194 1.00 CASP3 (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL29384302 0.96 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL26071633 0.96 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL4466395 0.96 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL20257211 0.93 REN (0.55) CASP3CASP7CASP9CASP6CASP8
SCHEMBL29825423 0.93 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL24310885 0.92 REN (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL15012737 0.92 REN (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL24310886 0.92 REN (0.56) CASP3CASP7CASP9CASP6CASP8

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-106796219-B Stabilization of whole blood samples 通用医疗公司 2022-05-27 — — CN claimed
US-10750739-B2 Stabilization of whole blood samples THE GENERAL HOSPITAL CORPORATION (US) 2020-08-25 — — US claimed
CN-113521286-B Coronavirus protease inhibitors and uses thereof 中国医学科学院基础医学研究所 2023-08-18 — — CN disclosed
CN-106796219-B Stabilization of whole blood samples 通用医疗公司 2022-05-27 — — CN disclosed
CN-113521286-A Coronavirus protease inhibitor and application thereof 中国医学科学院基础医学研究所 2021-10-22 — — CN disclosed
US-9707272-B2 Method for the treatment of acne by administering IL-1β antibody UNIVERSITAT ZURICH (CH) 2017-07-18 — — US disclosed
US-20140199320-A1 MODULATORS OF THE NLRP3 INFLAMMASOME IL-1BETA PATHWAY FOR THE PREVENTION AND TREATMENT OF ACNE UNIVERSITAT ZURICH (CH) 2014-07-17 — — US disclosed
WO-2013007763-A1 MODULATORS OF THE NLRP3 INFLAMMASOME IL-1ß PATHWAY FOR THE PREVENTION AND TREATMENT OF ACNE Universität Zürich (CH) 2013-01-17 — — 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-20140199320-A1 MODULATORS OF THE NLRP3 INFLAMMASOME IL-1BETA PATHWAY FOR THE PREVENTION AND TREATMENT OF ACNE IL1RN, CASP1, IL1R1 CASP3 169/4885CASP7 153/4885CASP9 47/4885

“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.

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