SCHEMBL875281

SCHEMBL875281

O=C(Nc1ccc(CCS(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.44
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
AURKB Q96GD4 1/20 0.41
USP2 O75604 1/20 0.41
GPR139 Q6DWJ6 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 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
SCHEMBL877111 0.97 ALDH1A1 (0.45) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL878119 0.87 ALDH1A1 (0.49) ALDH1A1HPGDRAB9AKMT2AKDM4E
SCHEMBL874830 0.86 ALDH1A1 (0.51) ALDH1A1HPGDRAB9AKMT2AKDM4E
SCHEMBL874644 0.86 KMT2A (0.46) ALDH1A1HPGDMMP2MMP3MMP9
SCHEMBL877249 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMMP2MMP3MMP9
SCHEMBL874844 0.82 KMT2A (0.46) ALDH1A1HPGDRAB9AKMT2AKDM4E
SCHEMBL874191 0.82 ALOX15 (0.45) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL874359 0.81 GPR139 (0.46) ALDH1A1HPGDMMP2MMP3MMP9
SCHEMBL876900 0.81 GPR139 (0.44) ALDH1A1HPGDMMP2MMP3MMP9
SCHEMBL874743 0.81 SMN1; SMN2 (0.42) 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 2281/4885HPGD 465/4885MMP2 17/4885

“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.