SCHEMBL118926

SCHEMBL118926

CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 2/20 0.41
CASP3 P42574 1/20 0.40
ABCB1 P08183 1/20 0.39
EPHX2 P34913 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
SCHEMBL29633817 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL30510296 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL29398902 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL29400893 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL120595 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL120592 1.00 ITGB3 (0.45) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL30688517 0.95 ITGB3 (0.44) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25182226 0.93 ITGB3 (0.42) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25182320 0.93 ITGB3 (0.42) ITGB3ITGA2BFABP5FABP7PPARG
SCHEMBL25356271 0.93 PPARG (0.43) ITGB3ITGA2BFABP5FABP7PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285592-A Preparation method of cyclohexalipopeptides natural product Cladoamide B 哈尔滨工业大学(深圳) 2023-12-26 CN claimed
CN-117285602-A Preparation method of depsipeptide natural product Isaridin A 哈尔滨工业大学(深圳) 2023-12-26 CN claimed
CN-115626951-A CladoamideA preparation method 哈尔滨工业大学(深圳) 2023-01-20 CN claimed
CN-115626951-B Preparation method of Cladoamide A 哈尔滨工业大学(深圳) 2026-03-24 CN disclosed
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-09 US disclosed
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-07-17 US disclosed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-02-13 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
EP-2350031-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA Ensemble Therapeutics Corporation (US) 2011-08-03 EP disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 US disclosed
WO-2010022249-A2 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE DISCOVERY CORPORATION (US) 2010-02-25 WO disclosed
CN-1431995-A Antipicornaviral compounds and compsns. their pharmaceutical uses, and materials for their synthesis AGOURON PHARMA (US) 2003-07-23 CN disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 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 (7 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS ITGB3 4817/4885ITGA2B 4589/4885FABP5 4703/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ITGB3 4849/4885ITGA2B 4821/4885FABP5 4094/4885
US-12410212-B2 Cyclic compound having selective KRAS inhibitory effect on HRAS and NRAS KRAS, HRAS, NRAS ITGB3 4856/4885ITGA2B 4718/4885FABP5 4631/4885
US-20250051394-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS ITGB3 4856/4885ITGA2B 4718/4885FABP5 4631/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A ITGB3 4506/4885ITGA2B 4599/4885FABP5 2337/4885
US-20250230193-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS KRAS, HRAS, NRAS ITGB3 4856/4885ITGA2B 4718/4885FABP5 4631/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS ITGB3 4849/4885ITGA2B 4821/4885FABP5 4094/4885

“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.