SCHEMBL874594

SCHEMBL874594

Cc1cccc2c(=O)n(CCC(Sc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)C(=O)O)nnc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.50
MMP9 P14780 4/20 0.50
GPR139 Q6DWJ6 10/20 0.45
TP53 P04637 1/20 0.39
PTGES O14684 5/20 0.38
ALOX5 P09917 5/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL874364 0.89 GPR139 (0.42) MMP2MMP9GPR139PTGESALOX5
SCHEMBL15735335 0.88 GPR139 (0.43) MMP2MMP9GPR139PTGESALOX5
SCHEMBL877146 0.88 GPR139 (0.51) MMP2MMP9GPR139PTGESALOX5
SCHEMBL877238 0.87 MMP2 (0.48) MMP2MMP9GPR139PTGESALOX5
SCHEMBL12473092 0.86 MMP2 (0.53) MMP2MMP9GPR139MMP1MMP3
SCHEMBL877341 0.86 MMP2 (0.47) MMP2MMP9GPR139TP53PTGES
SCHEMBL15735056 0.85 GPR139 (0.42) MMP2MMP9GPR139PTGESALOX5
SCHEMBL15733344 0.85 GPR139 (0.41) MMP2MMP9GPR139PTGESALOX5
SCHEMBL877912 0.85 GPR139 (0.41) MMP2MMP9GPR139PTGESALOX5
SCHEMBL878368 0.85 GPR139 (0.41) MMP2MMP9GPR139PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 MMP2 17/4885MMP9 1/4885GPR139 2694/4885

“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.