SCHEMBL877111

SCHEMBL877111

O=C(Nc1ccc(CCS(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR139 Q6DWJ6 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.40
RAB9A P51151 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
SCHEMBL875281 0.97 ALDH1A1 (0.47) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL874644 0.87 KMT2A (0.46) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL877249 0.86 ALDH1A1 (0.47) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL874844 0.84 KMT2A (0.46) ALDH1A1KMT2AKDM4EGPR139L3MBTL1
SCHEMBL878119 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EL3MBTL1GAA
SCHEMBL874191 0.83 ALOX15 (0.45) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL874830 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EGAAHTT
SCHEMBL874359 0.83 GPR139 (0.46) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL874743 0.82 SMN1; SMN2 (0.42) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL876900 0.82 GPR139 (0.44) ALDH1A1MMP2MMP3MMP9MMP13

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 ALDH1A1 2281/4885MMP2 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.