SCHEMBL14188830

SCHEMBL14188830

Cc1ccc(Oc2ccc(S(=O)(=O)NC3(C(=O)NO)CCOCC3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 20/20 0.83
▸ MMP13 P45452 20/20 0.83
▸ MMP2 P08253 1/20 0.79
▸ MMP3 P08254 1/20 0.79
▸ MMP9 P14780 1/20 0.79
▸ MMP8 P22894 1/20 0.79
▸ MMP12 P39900 1/20 0.79
▸ MMP14 P50281 1/20 0.79

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
SCHEMBL6949842 0.89 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL24724 0.88 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL25304 0.88 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6951011 0.87 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7208142 0.83 MMP1 (0.87) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7213054 0.82 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL25363 0.82 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7208603 0.82 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL135680 0.82 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7209189 0.81 MMP1 (0.88) MMP1MMP13MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers XANTHUS PHARMACEUTICALS, INC. 2008-05-08 — — 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-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers PMP22, PML, AQP4 MMP1 638/4885MMP13 1260/4885MMP2 2545/4885

“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.

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