SCHEMBL3776724

SCHEMBL3776724

COc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.54
▸ PPARG P37231 3/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ REN P00797 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6942693 1.00 LDHA (0.54) LDHAPPARGPPARAL3MBTL1MMP13
SCHEMBL10785304 0.90 MMP13 (0.43) LDHAPPARGPPARAMMP13ITGB3
SCHEMBL3777215 0.88 LDHA (0.46) LDHAL3MBTL1MMP13
SCHEMBL31407616 0.88 LDHA (0.46) LDHAPPARGPPARAL3MBTL1MMP13
SCHEMBL3638571 0.88 LDHA (0.46) LDHAPPARGPPARAL3MBTL1MMP13
SCHEMBL2292028 0.87 MMP13 (0.57) PPARGPPARAMMP13ITGB3ITGA2B
SCHEMBL31278485 0.87 EPHX2 (0.46) LDHAITGB3ITGA2B
SCHEMBL25173080 0.86 PPARG (0.40) LDHAPPARGPPARAMMP13ITGB3
SCHEMBL6661008 0.86 CTSS (0.44) MMP13ITGB3ITGA2BREN
SCHEMBL4778626 0.86 CTSS (0.44) MMP13ITGB3ITGA2BREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727552-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2026-04-22 — — EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 — — US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 — — EP disclosed
WO-2024259310-A2 PASSIVE PERMEABLE PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-12-19 — — WO disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 — — US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 — — US disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 — — WO disclosed
EP-0956033-B1 TOTAL SYNTHESIS OF THE AMINO HIP ANALOGUE OF DIDEMNIN A UNIV ILLINOIS (US) 2003-07-23 — — EP disclosed
US-6380156-B1 HAVING ANTIVIRAL, ANTITUMOR, AND IMMUNOSUPPRESSIVE ACTIVITIES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS 2002-04-30 — — US disclosed
EP-0589949-B1 NEW PEPTIDES (DIDEMNINS), THEIR PREPARATION AND THEIR USE BASF AG (DE) 1996-08-21 — — EP disclosed
US-5504189-A HEXAPEPTIDES; ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-04-02 — — US disclosed
WO-1993000362-A1 NEW PEPTIDES (DIDEMNINS), THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-01-07 — — 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 (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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 LDHA 1324/4885PPARG 3131/4885PPARA 2794/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 LDHA 843/4885PPARG 3070/4885PPARA 2682/4885

“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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