SCHEMBL5654817

SCHEMBL5654817

N#Cc1ccc(C[C@]23C[C@@H](OC(=O)c4ccccc4)CN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.45
ITGB2 P05107 10/20 0.45
ICAM1 P05362 10/20 0.45

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
SCHEMBL5654820 1.00 ITGAL (0.45) ITGALITGB2ICAM1
SCHEMBL5654824 1.00 ITGAL (0.45) ITGALITGB2ICAM1
SCHEMBL4856989 0.81 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL8358373 0.81 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4865762 0.81 ITGAL (0.42) ITGALITGB2ICAM1
SCHEMBL4702837 0.79 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL8354466 0.79 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4864222 0.79 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL14040688 0.79 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL14040721 0.79 ITGAL (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US claimed
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 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-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
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 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-20050119279-A1 Spiro-cyclic compounds useful as anti-inflammatory agents CCR9, MSR1, CCR3 ITGAL 1187/4885ITGB2 2005/4885ICAM1 451/4885
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C ITGAL 2684/4885ITGB2 3367/4885ICAM1 2117/4885

“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.