SCHEMBL12746771

SCHEMBL12746771

CC(C)Oc1cc(-c2ccccc2)cc(N(C)S(=O)(=O)CC2CS2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.44
▸ MMP9 P14780 8/20 0.44
▸ MMP14 P50281 8/20 0.44
▸ MMP3 P08254 2/20 0.44
▸ FFAR4 Q5NUL3 8/20 0.37
▸ MMP7 P09237 3/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ PTGDR Q13258 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL12747850 0.80 HSD17B1 (0.41) MMP2MMP9MMP14MMP3MMP7
SCHEMBL10238424 0.78 MMP2 (0.35) MMP2MMP9MMP14MMP3FFAR4
SCHEMBL10238442 0.75 MMP2 (0.53) MMP2MMP9MMP14MMP3MMP7
SCHEMBL10238436 0.73 MMP2 (0.60) MMP2MMP9MMP14MMP3MMP7
SCHEMBL12746769 0.69 MMP2 (0.57) MMP2MMP9MMP14MMP3FFAR4
SCHEMBL10238438 0.66 MMP2 (0.51) MMP2MMP9MMP14MMP3MMP7
SCHEMBL12717422 0.61 MMP2 (0.51) MMP2MMP9MMP14MMP3MMP7
SCHEMBL21944820 0.61 RXRA (0.51) FFAR4RXRARXRB
SCHEMBL18002608 0.61 ALDH1A3 (0.51) FFAR4RXRARXRB
SCHEMBL8469211 0.60 RXRA (0.72) FFAR4RXRARXRBMAOAMAOB

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-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 — — US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 — — 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 MMP2 3/4885MMP9 1/4885MMP14 15/4885

“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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