SCHEMBL31241600

SCHEMBL31241600

CC(=O)NC(C(=O)O)C1(O)CCN(C(=O)NCCc2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.49
ITGAV P06756 15/20 0.48
ITGB3 P05106 4/20 0.48
ITGB6 P18564 11/20 0.47

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
SCHEMBL20488508 1.00 CXCR4 (0.49) CXCR4ITGAVITGB3ITGB6
SCHEMBL20486737 0.95 ITGAV (0.51) ITGAVITGB3ITGB6
SCHEMBL22893596 0.95 ITGAV (0.51) ITGAVITGB3ITGB6
SCHEMBL31241598 0.95 ITGAV (0.51) ITGAVITGB3ITGB6
SCHEMBL22893655 0.95 ITGAV (0.51) ITGAVITGB3ITGB6
SCHEMBL31241585 0.94 ITGAV (0.52) ITGAVITGB3ITGB6
SCHEMBL20487690 0.94 ITGAV (0.52) ITGAVITGB3ITGB6
SCHEMBL22893657 0.92 ITGAV (0.51) CXCR4ITGAVITGB3ITGB6
SCHEMBL23584032 0.91 CXCR4 (0.51) CXCR4ITGAVITGB3ITGB6
SCHEMBL20487371 0.88 ITGAV (0.52) ITGAVITGB3ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145935-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2024-11-19 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 (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-12145935-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CXCR4 470/4885ITGAV 3/4885ITGB3 11/4885

“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.