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SCHEMBL2912586

SCHEMBL2912586

O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 8/20 0.60
▸ PPARA Q07869 3/20 0.55
▸ PPARG P37231 1/20 0.55
▸ CTSK P43235 3/20 0.54
▸ TACR1 P25103 2/20 0.54
▸ CTRB1 P17538 2/20 0.54
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ IDO1 P14902 1/20 0.53
▸ TDO2 P48775 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL7583002 1.00 CASP1 (0.60) CASP1PPARAPPARGCTSKTACR1
SCHEMBL2912589 1.00 CASP1 (0.60) CASP1PPARAPPARGCTSKTACR1
SCHEMBL7975561 0.92 CASP1 (0.55) CASP1PPARAPPARGCTSKCTSL
SCHEMBL3012469 0.91 CASP1 (0.56) CASP1PPARAPPARGCTSKTACR1
SCHEMBL755795 0.91 MMP9 (0.52) CASP1PPARAPPARGCTSKCTSL
SCHEMBL8116799 0.91 CASP1 (0.56) CASP1PPARAPPARGCTSKTACR1
SCHEMBL3012475 0.91 CASP1 (0.56) CASP1PPARAPPARGCTSKTACR1
SCHEMBL9312398 0.91 CASP1 (0.60) CASP1CTSKTACR1CTRB1CTSL
SCHEMBL8765627 0.91 CASP1 (0.60) CASP1CTSKTACR1CTRB1CTSL
SCHEMBL376886 0.89 CASP1 (0.67) CASP1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049064-A9 CARDIOPROTECTIVE LIPIDS AND METHODS OF USE SIGNPATH PHARMA INC. (US) 2025-05-22 — — WO disclosed
US-20240270765-A2 CARDIOPROTECTIVE LIPIDS AND METHODS OF USE SIGNPATH PHARMA INC. 2024-08-15 — — US disclosed
US-20240025928-A1 CARDIOPROTECTIVE LIPIDS AND METHODS OF USE SIGNPATH PHARMA INC (US) 2024-01-25 — — US disclosed
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PROTAGONIST THERAPEUTICS, INC. 2022-06-16 — — US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
EP-2222161-A1 QUINOXALINYL DERIVATIVES Enanta Pharmaceuticals, Inc. (US) 2010-09-01 — — EP disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 — — US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 — — WO disclosed
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 — — 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 (4 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 CASP1 246/4885PPARA 3035/4885PPARG 3682/4885
US-20240025928-A1 CARDIOPROTECTIVE LIPIDS AND METHODS OF USE CPT1B, FABP3, NR1H2 CASP1 1666/4885PPARA 568/4885PPARG 819/4885
US-20240270765-A2 CARDIOPROTECTIVE LIPIDS AND METHODS OF USE CPT1B, FABP3, NR1H2 CASP1 1666/4885PPARA 568/4885PPARG 819/4885
US-20220185846-A1 METHODS FOR SYNTHESIZING BETA-HOMOAMINO ACIDS PSMA7, ITGB7, SCN7A CASP1 3905/4885PPARA 4214/4885PPARG 4585/4885

“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.