SCHEMBL874885

SCHEMBL874885

Cc1ccc(C(=O)Nc2ccc(SC(CCn3nnc4ccc(F)cc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 9/20 0.48
DGAT1 O75907 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTNNB1 P35222 3/20 0.39
TCF7L2 Q9NQB0 3/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL874661 0.95 CTNNB1 (0.44) GPR139DGAT1MEN1KMT2AATM
SCHEMBL875423 0.93 GPR139 (0.45) GPR139DGAT1MEN1KMT2AHTT
SCHEMBL875589 0.89 GPR139 (0.49) GPR139DGAT1HTTRAB9ANPC1
SCHEMBL878096 0.88 GPR139 (0.45) GPR139DGAT1MEN1KMT2AATM
SCHEMBL878120 0.88 MAPT (0.46) GPR139DGAT1HTTRAB9ANPC1
SCHEMBL874668 0.87 GPR139 (0.49) GPR139KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL874987 0.86 DGAT1 (0.49) GPR139DGAT1MEN1KMT2AHTT
SCHEMBL878124 0.85 GPR139 (0.44) GPR139DGAT1MEN1KMT2AHTT
SCHEMBL878139 0.83 GPR139 (0.45) GPR139MEN1KMT2AATMRAB9A
SCHEMBL15732962 0.83 GPR139 (0.49) GPR139KMT2AHTTRAB9ANPC1

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 GPR139 2694/4885DGAT1 888/4885MEN1 1755/4885

“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.