SCHEMBL1111209

SCHEMBL1111209

O=C(NC(CCO)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
CTSK P43235 3/20 0.54
TACR1 P25103 2/20 0.54
FOLH1 Q04609 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 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

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
SCHEMBL1111208 1.00 PPARA (0.55) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL376362 1.00 PPARA (0.55) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL7515531 0.91 FOLH1 (0.58) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL6841663 0.91 FOLH1 (0.58) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL6059278 0.91 CTSK (0.54) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL7215503 0.91 CTSK (0.54) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL600823 0.90 FOLH1 (0.60) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL26641195 0.90 FOLH1 (0.60) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL19658555 0.90 FOLH1 (0.60) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL9830736 0.90 TGM2 (0.50) PPARAPPARGCTSKCTSLCTSB

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133476-A1 IMINOGUANIDINE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES Aventis Pharma S.A. (FR) 2001-09-19 EP claimed
WO-2000031044-A1 IMINOGUANIDINE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2000-06-02 WO claimed
EP-0888292-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY $g(a)v$g(b)3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 1999-01-07 EP claimed
WO-1997034865-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY αvβ3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME HOECHST MARION ROUSSEL (FR) 1997-09-25 WO claimed
US-12630561-B2 Tricyclic derivatives inhibitor, preparation method, and applications thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2026-05-19 US disclosed
EP-4540267-B1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2026-04-15 EP disclosed
EP-3805231-B1 INHIBITOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD (CN) 2024-10-16 EP disclosed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
CN-114835729-B Inhibitor containing tricyclic derivatives, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-31 CN disclosed
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
WO-2023244554-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2023-12-21 WO disclosed
US-5906930-A NUCLEIC ACID CODING FOR MUTANT ENZYME; FOR REMOVAL OF CARBOXY ACID PROTECTING GROUPS DURING SYNTHESIS OF ANTIBIOTICS LIKE LORACARBEF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-05-25 US disclosed
EP-0876490-A1 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-11 EP disclosed
US-5741691-A Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-04-21 US disclosed
WO-1997027304-A9 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA 1997-10-09 WO disclosed
WO-1997027304-A1 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-07-31 WO disclosed
EP-0230037-B1 CYTOPROTECTIVE DERIVATIVES USEFUL IN ISCHEMIC DISEASES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM ITALFARMACO S.p.A. (IT) 1991-03-06 EP disclosed
US-4789681-A CARDIOPROTECTIVE AGENTS ITALFARMACO S.P.A. (IT) 1988-12-06 US disclosed
EP-0230037-A1 Cytoprotective derivatives useful in ischemic diseases, their preparation and compositions containing them ITALFARMACO S.p.A. (IT) 1987-07-29 EP 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-20230406885-A1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA IL1A, IL1B, IL1R1 PPARA 3131/4885PPARG 3427/4885CTSK 850/4885
US-12630561-B2 Tricyclic derivatives inhibitor, preparation method, and applications thereof PIK3CA, PIK3R1, PIK3CD PPARA 1780/4885PPARG 1592/4885CTSK 2505/4885

“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.