SCHEMBL6764792

SCHEMBL6764792

COC(=O)C1CCC(OC(OCC(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)N2CCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.58
ITGA4 P13612 13/20 0.58
KDM1A O60341 1/20 0.37
ACKR3 P25106 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR2 O95136 1/20 0.35

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
SCHEMBL2430235 1.00 ITGB1 (0.58) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2432749 0.94 ITGB1 (0.66) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2432477 0.90 ITGB1 (0.57) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2434347 0.88 ITGB1 (0.44) ITGB1ITGA4KDM1AALDH1A1
SCHEMBL7270022 0.88 ITGB1 (0.44) ITGB1ITGA4KDM1AALDH1A1
SCHEMBL6767280 0.88 ITGB1 (0.59) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2431996 0.88 ITGB1 (0.62) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2435836 0.86 ITGB1 (0.58) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2435009 0.86 ITGB1 (0.58) ITGB1ITGA4KDM1AACKR3MEN1
SCHEMBL2429874 0.84 ITGB1 (0.65) ITGB1ITGA4KDM1AACKR3MEN1

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-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885KDM1A 816/4885

“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.