SCHEMBL877387

SCHEMBL877387

COc1cccc(C(=O)Nc2ccc(CCS(=O)(=O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GPR139 Q6DWJ6 5/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALPG P10696 1/20 0.43
MAPK10 P53779 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MCL1 Q07820 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL874644 0.90 KMT2A (0.46) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL876900 0.89 GPR139 (0.44) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL874743 0.89 SMN1; SMN2 (0.42) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL875118 0.88 TSHR (0.52) TSHRGPR139KMT2AMEN1SMN1; SMN2
SCHEMBL874844 0.86 KMT2A (0.46) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL874657 0.84 GPR139 (0.48) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL874359 0.84 GPR139 (0.46) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15733483 0.83 GPR139 (0.50) GPR139ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL874191 0.81 ALOX15 (0.45) TSHRGPR139ALDH1A1KMT2AMEN1
SCHEMBL528732 0.81 TSHR (0.53) TSHRGPR139ALDH1A1KMT2AMEN1

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 TSHR 1443/4885GPR139 2694/4885ALDH1A1 2281/4885

“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.