SCHEMBL5459824

SCHEMBL5459824

COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NCCOCCOCCOCCN)cc2)C(C(=O)OC(C)(C)C)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.49
MMP9 P14780 8/20 0.49
MMP8 P22894 8/20 0.49
MMP13 P45452 8/20 0.49
CXCR3 P49682 2/20 0.46
HPGD P15428 3/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
OPRK1 P41145 4/20 0.44
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BMP1 P13497 1/20 0.42

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
SCHEMBL11888704 0.90 MMP2 (0.46) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL5459830 0.84 MMP2 (0.48) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL11956143 0.83 BMP1 (0.54) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL5463131 0.83 BMP1 (0.54) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL5451163 0.82 TAS2R14 (0.64) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL5469172 0.80 HPGD (0.44) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL11888705 0.80 MMP2 (0.44) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL7089280 0.79 MMP2 (0.59) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL7089279 0.79 MMP2 (0.59) MMP2MMP9MMP8MMP13CXCR3
SCHEMBL11956305 0.78 ACHE (0.38) HPGDOPRK1OPRM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8231858-B2 Diagnostic imaging agents with MMP inhibitory activity GE HEALTHCARE LIMITED (GB) 2012-07-31 US disclosed
US-20070071670-A1 Diagnostic imaging agents with mmp inhibitory activity GE HEALTHCARE LIMITED (GB) 2007-03-29 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-20070071670-A1 Diagnostic imaging agents with mmp inhibitory activity MMP1, MMP3, MMP7 MMP2 15/4885MMP9 8/4885MMP8 25/4885

“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.