SCHEMBL4438826

SCHEMBL4438826

Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.44
SIRT1 Q96EB6 3/20 0.44
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
TGM2 P21980 5/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
FOLH1 Q04609 2/20 0.42
PLG P00747 2/20 0.42
F10 P00742 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
SIRT3 Q9NTG7 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL29398651 0.91 ITGB3 (0.44) SIRT2SIRT1ITGB3ITGAVTGM2
SCHEMBL29401366 0.91 ITGB3 (0.44) SIRT2SIRT1ITGB3ITGAVTGM2
SCHEMBL30134454 0.88 ITGB3 (0.42) SIRT2SIRT1ITGB3ITGAVTGM2
SCHEMBL2366956 0.86 MDM2 (0.42) PLGF10PLAUKLKB1
SCHEMBL29469785 0.86 MDM2 (0.42) PLGF10PLAUKLKB1
SCHEMBL2367323 0.86 MDM2 (0.42) PLGF10PLAUKLKB1
SCHEMBL29501799 0.85 KLK7 (0.47) ITGB3MMP2MMP9FOLH1
SCHEMBL8112584 0.85 PLG (0.41) SIRT2ITGB3ITGAVMMP2MMP9
SCHEMBL30440496 0.85 ALDH1A1 (0.38) PLGF10PLAUKLKB1
SCHEMBL31235336 0.85 ALDH1A1 (0.38) PLGF10PLAUKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 SIRT2 4309/4885SIRT1 3524/4885ITGB3 364/4885

“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.