SCHEMBL5657327

SCHEMBL5657327

O=C1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@]2(Cc2ccc(Br)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.55
ITGB2 P05107 19/20 0.55
ICAM1 P05362 19/20 0.55

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
SCHEMBL4847515 1.00 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL6772701 0.87 ITGAL (0.51) ITGALITGB2ICAM1
SCHEMBL14526231 0.85 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL4841707 0.81 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL4847241 0.81 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL4840686 0.81 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL4847530 0.80 ITGAL (0.47) ITGALITGB2ICAM1
SCHEMBL4847526 0.80 ITGAL (0.47) ITGALITGB2ICAM1
SCHEMBL4849044 0.80 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL4849061 0.79 ITGAL (0.52) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199125-B2 Spiro-cyclic compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199125-B2 Spiro-cyclic compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199125-B2 Spiro-cyclic compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050119279-A1 Spiro-cyclic compounds useful as anti-inflammatory agents CEREP SA (FR) 2005-06-02 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-20050119279-A1 Spiro-cyclic compounds useful as anti-inflammatory agents CCR9, MSR1, CCR3 ITGAL 1187/4885ITGB2 2005/4885ICAM1 451/4885

“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.