SCHEMBL13206992

SCHEMBL13206992

NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)c(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
F10 P00742 1/20 0.44
ECE1 P42892 1/20 0.44
CCKBR P32239 3/20 0.43
CCKAR P32238 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL1381877 0.91 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL631002 0.85 ITGB2 (0.52) ITGB2ICAM1ITGALF10
SCHEMBL629768 0.85 ITGB2 (0.52) ITGB2ICAM1ITGALF10
SCHEMBL13206955 0.85 ITGB2 (0.52) ITGB2ICAM1ITGALF10
SCHEMBL630602 0.81 SNCA (0.40) ITGB2ICAM1ITGAL
SCHEMBL8268308 0.78 FKBP1A (0.55) ITGB2ICAM1ITGALF10ECE1
SCHEMBL1383977 0.75 KMT2A (0.50) ITGB2ICAM1ITGAL
SCHEMBL1384829 0.75 KMT2A (0.50) ITGB2ICAM1ITGAL
SCHEMBL630229 0.75 MMP9 (0.54) ITGB2ICAM1ITGAL
SCHEMBL8268055 0.74 ITGB2 (0.51) ITGB2ICAM1ITGAL

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-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 ITGB2 3974/4885ICAM1 4164/4885ITGAL 4111/4885

“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.