SCHEMBL6422552

SCHEMBL6422552

O=C(O)CCCCCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.77
ITGAV P06756 20/20 0.77
ITGA2B P08514 1/20 0.68
ITGB5 P18084 11/20 0.64
ITGB6 P18564 10/20 0.64
ITGB8 P26012 10/20 0.64

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
SCHEMBL21329747 1.00 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6792186 0.99 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL15397316 0.99 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6422102 0.97 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL20487381 0.97 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6425719 0.97 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5252527 0.95 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6262063 0.95 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6424214 0.94 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL29416400 0.94 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN claimed
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP claimed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US claimed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP claimed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US claimed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
CN-118994152-A Integrin targeting ligands and uses thereof 箭头药业股份有限公司 2024-11-22 CN disclosed
CN-112074290-B Integrin targeting ligands and uses thereof 箭头药业股份有限公司 2024-09-10 CN disclosed
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 CN disclosed
CN-114929218-A Treatment of liver diseases using integrin inhibitor combinations 诺华股份有限公司 2022-08-19 CN disclosed
US-11396506-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
EP-3813818-A1 AMINO ACID COMPOUNDS WITH UNBRANCHED LINKERS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-05-05 EP disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 WO disclosed
EP-1187592-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
EP-1187592-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-03-20 EP disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 WO disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US 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-11396506-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 ITGB3 11/4885ITGAV 8/4885ITGA2B 1/4885
US-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 ITGB3 2/4885ITGAV 1/4885ITGA2B 17/4885

“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.