SCHEMBL19825656

SCHEMBL19825656

CC(C)(C)OC(=O)C(CNC(=O)CCCCc1ccc2c(n1)NCCC2)NC(=O)OCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.83
ITGB3 P05106 18/20 0.83
ITGB1 P05556 1/20 0.57
ITGA4 P13612 1/20 0.57
ITGB6 P18564 5/20 0.57
ITGB5 P18084 4/20 0.53
ITGB8 P26012 3/20 0.53

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
SCHEMBL18104579 1.00 ITGAV (0.83) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL19825652 0.88 ITGAV (0.67) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL19825726 0.85 ITGAV (0.61) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL22074099 0.85 ITGAV (0.78) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL22073480 0.85 ITGAV (0.78) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL22029438 0.85 ITGAV (0.78) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL22029457 0.85 ITGAV (0.85) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL22029471 0.85 ITGAV (0.85) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL22029456 0.85 ITGAV (0.85) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL28382657 0.84 ITGAV (0.59) ITGAVITGB3ITGB1ITGA4ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275883-B1 METHOD FOR PRODUCING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, AND PRODUCTION INTERMEDIATE OF SAME FUJIFILM CORP (JP) 2021-06-02 EP disclosed
US-20210015802-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-01-21 US disclosed
CN-111171026-A Production intermediate for nitrogen-containing compound or salt thereof 富士胶片株式会社 2020-05-19 CN disclosed
CN-107428755-B Process for producing nitrogen-containing compound or salt thereof, and intermediate for production thereof 富士胶片株式会社 2020-03-03 CN disclosed
EP-3275883-A1 METHOD FOR PRODUCING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, AND PRODUCTION INTERMEDIATE OF SAME FUJIFILM Corporation (JP) 2018-01-31 EP 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-20210015802-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF C5, C9, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ITGAV 3298/4885ITGB3 1122/4885ITGB1 2413/4885

“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.