SCHEMBL29479454

SCHEMBL29479454

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 8/20 0.67
▸ NLN Q9BYT8 1/20 0.63
▸ ACE P12821 2/20 0.57
▸ NMBR P28336 4/20 0.56

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
SCHEMBL21641790 0.97 NLN (0.66) GHSRNLNACENMBR
SCHEMBL21641789 0.95 NLN (0.69) GHSRNLNACENMBR
SCHEMBL14345559 0.90 GHSR (0.64) GHSRNLNNMBR
SCHEMBL12228541 0.90 GHSR (0.64) GHSRNLNNMBR
SCHEMBL30862451 0.89 ACE (0.69) ACE
SCHEMBL30862455 0.89 ACE (0.69) ACE
SCHEMBL30526218 0.89 ACE (0.69) ACE
SCHEMBL9868128 0.89 ACE (0.69) ACE
SCHEMBL30862445 0.89 ACE (0.69) ACE
SCHEMBL30862460 0.89 ACE (0.69) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240219403-A1 METHODS FOR INHIBITING KRAS ONCOPROTEIN THROUGH ENHANCED GTPASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-04 — — US claimed
CN-114099713-B Molecular probe for in vivo detection of CDK4/6 kinase activity and application thereof 厦门大学附属翔安医院 2023-09-01 — — CN claimed
WO-2022217073-A1 METHODS FOR INHIBITING KRAS ONCOPROTEIN THROUGH ENHANCED GTPASE ACTIVITY MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-10-13 — — WO claimed
CN-114099713-A Molecular probe for in vivo detection of CDK4/6 kinase activity and application thereof 厦门大学附属翔安医院 2022-03-01 — — CN claimed
EP-4661892-A1 TNF-ALPHA BINDING AGENTS AND METHODS OF USING THE SAME Navigen, Inc. (US) 2025-12-17 — — EP disclosed
CN-119613494-B Antioxidant peptide derived from fruit bodies of oleaginous bacteria, antioxidant peptide detection reagent and application 吉林农业大学 2025-05-27 — — CN disclosed
CN-119613494-A Antioxidant peptide derived from fruit bodies of oleaginous bacteria, antioxidant peptide detection reagent and application 吉林农业大学 2025-03-14 — — CN disclosed
CN-118956800-A Polypeptide for treating brain glioma, fusion polypeptide and application of fusion polypeptide 徐州医科大学 2024-11-15 — — CN disclosed
WO-2024168055-A1 TNF-ALPHA BINDING AGENTS AND METHODS OF USING THE SAME NAVIGEN, INC. (US) 2024-08-15 — — WO disclosed
US-20240219403-A1 METHODS FOR INHIBITING KRAS ONCOPROTEIN THROUGH ENHANCED GTPASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-04 — — US disclosed
CN-117599014-A Tryptophan dipeptide based self-assembled nano composition and preparation method and application thereof 赣州和美药业股份有限公司 2024-02-27 — — CN disclosed
US-20230381378-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF IMPLANT ASSOCIATED COMPLICATIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-11-30 — — US disclosed
CN-114099713-B Molecular probe for in vivo detection of CDK4/6 kinase activity and application thereof 厦门大学附属翔安医院 2023-09-01 — — CN disclosed
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 — — US disclosed
CN-115554413-A Tryptophan dipeptide-based self-assembly nano composition and preparation method and application thereof 南开大学 2023-01-03 — — CN disclosed
WO-2022217073-A1 METHODS FOR INHIBITING KRAS ONCOPROTEIN THROUGH ENHANCED GTPASE ACTIVITY MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-10-13 — — WO disclosed
WO-2022076700-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF IMPLANT ASSOCIATED COMPLICATIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-04-14 — — WO disclosed
CN-114099713-A Molecular probe for in vivo detection of CDK4/6 kinase activity and application thereof 厦门大学附属翔安医院 2022-03-01 — — CN 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC GHSR 3879/4885NLN 4063/4885ACE 4394/4885

“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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