SCHEMBL630229

SCHEMBL630229

CN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.54
MMP8 P22894 2/20 0.54
MMP14 P50281 1/20 0.54
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
TACR1 P25103 4/20 0.51
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 2/20 0.47
DPP3 Q9NY33 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
MMP2 P08253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NMBR P28336 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL13206955 0.89 ITGB2 (0.52) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL631002 0.89 ITGB2 (0.52) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL629768 0.89 ITGB2 (0.52) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL8268055 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL1383977 0.85 KMT2A (0.50) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL1384829 0.85 KMT2A (0.50) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL7069023 0.84 ALOX5 (0.59) MMP9ITGB2ICAM1ITGALDPP3
SCHEMBL630426 0.83 TDP1 (0.48) ITGB2ICAM1ITGALTDP1KMT2A
SCHEMBL630243 0.81 MMP1 (0.49) MMP9MMP8MMP14ITGB2ICAM1
SCHEMBL6368387 0.80 ITGB1 (0.60) MMP9ITGB2ICAM1ITGALKMT2A

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 5 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 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 MMP9 4757/4885MMP8 4587/4885MMP14 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.