SCHEMBL630243

SCHEMBL630243

CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.49
MMP2 P08253 7/20 0.49
MMP14 P50281 4/20 0.49
ITGB1 P05556 3/20 0.48
ITGA4 P13612 3/20 0.48
ITGB7 P26010 1/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
NR3C1 P04150 1/20 0.47
GHSR Q92847 1/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 3/20 0.46
MMP3 P08254 3/20 0.46
DPP3 Q9NY33 1/20 0.45
MMP7 P09237 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL6368387 0.89 ITGB1 (0.60) MMP2ITGB1ITGA4ITGB7ITGB2
SCHEMBL8268055 0.83 ITGB2 (0.51) ITGB2ICAM1ITGALGHSRDPP3
SCHEMBL13206955 0.81 ITGB2 (0.52) ITGB1ITGB2ICAM1ITGALDPP3
SCHEMBL631002 0.81 ITGB2 (0.52) ITGB1ITGB2ICAM1ITGALDPP3
SCHEMBL629768 0.81 ITGB2 (0.52) ITGB1ITGB2ICAM1ITGALDPP3
SCHEMBL630229 0.81 MMP9 (0.54) MMP2MMP14ITGB1ITGB2ICAM1
SCHEMBL7069023 0.78 ALOX5 (0.59) MMP2ITGB1ITGA4ITGB2ICAM1
SCHEMBL629890 0.78 HDAC2 (0.48) MMP1MMP2MMP14MMP9MMP3
SCHEMBL1383357 0.78 HDAC2 (0.48) MMP1MMP2MMP14MMP9MMP3
SCHEMBL630909 0.78 MMP9 (0.48) MMP2MMP9

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
JP-4812758-B2 2011-11-09 JP claimed
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP 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-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 MMP1 4649/4885MMP2 4150/4885MMP14 4478/4885

“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.