Sugi Predict

Sugi Predict / Compounds / SCHEMBL120685

SCHEMBL120685

SCHEMBL120685

O=C(N[C@@H](COCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.59
▸ MDM4 O15151 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ PPARA Q07869 2/20 0.53
▸ FOLH1 Q04609 1/20 0.51
▸ TLR2 O60603 2/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ TDO2 P48775 1/20 0.49
▸ SLC17A5 Q9NRA2 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ PPARG P37231 1/20 0.48

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
SCHEMBL29401900 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL31186620 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL29398946 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL3366333 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL2589116 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL30861891 1.00 TNF (0.59) TNFMDM4TP53PPARAFOLH1
SCHEMBL30844644 0.92 HDAC1 (0.52) TNFMDM4TP53TLR2CASP3
SCHEMBL8892048 0.92 MDM4 (0.60) TNFMDM4TP53TLR2CASP3
SCHEMBL28812447 0.91 MDM2 (0.56) TNFMDM4TP53PPARATLR2
SCHEMBL28812446 0.91 MDM2 (0.56) TNFMDM4TP53PPARATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 — — EP disclosed
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 — — CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 — — CN disclosed
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 — — CN disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 — — US disclosed
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 — — US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 — — US disclosed
CN-111148739-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2020-05-12 — — CN disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
US-6482921-B1 Uridyl peptide antibiotic (UPA) derivatives, their synthesis and use ESSENTIAL THERAPEUTICS, INC. 2002-11-19 — — US disclosed
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2002-10-17 — — US disclosed
WO-2002064551-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES PHARMACOR INC. (CA) 2002-08-22 — — WO disclosed
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 — — US disclosed
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 — — WO disclosed
US-5883132-A MULTISTAGE REACTION OF AMIDATION, ACTIVATION, COUPLING AND HYDROLYSIS FOURNIER INDUSTRIE ET SANTE (FR) 1999-03-16 — — US disclosed
EP-0755380-B1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER IND & SANTE (FR) 1998-10-14 — — EP disclosed
US-5776897-A Treating disorders by application of insulin-like growth factors and analogs CEPHALON, INC. (US) 1998-07-07 — — US disclosed
EP-0755380-A1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER INDUSTRIE ET SANTE (FR) 1997-01-29 — — EP disclosed
WO-1996024579-A1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER INDUSTRIE ET SANTE (FR) 1996-08-15 — — 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 (5 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP TNF 1733/4885MDM4 3536/4885TP53 2216/4885
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 TNF 4265/4885MDM4 1230/4885TP53 2694/4885
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 TNF 1580/4885MDM4 3636/4885TP53 1859/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP TNF 1733/4885MDM4 3536/4885TP53 2216/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR TNF 4179/4885MDM4 3351/4885TP53 1459/4885

“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.