SCHEMBL876900

SCHEMBL876900

O=C(Nc1ccc(CCS(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.40

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 0.92 KMT2A (0.46) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874743 0.91 SMN1; SMN2 (0.42) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877387 0.89 TSHR (0.49) GPR139ALDH1A1KMT2AKDM4EMEN1
SCHEMBL874844 0.87 KMT2A (0.46) GPR139ALDH1A1GAAKMT2AKDM4E
SCHEMBL874359 0.85 GPR139 (0.46) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874191 0.83 ALOX15 (0.45) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876867 0.83 MMP2 (0.58) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874657 0.83 GPR139 (0.48) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877111 0.82 ALDH1A1 (0.45) GPR139MMP2MMP3MMP9MMP13
SCHEMBL875281 0.81 ALDH1A1 (0.47) GPR139MMP2MMP3MMP9MMP13

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 2694/4885MMP2 17/4885MMP3 4/4885

“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.