SCHEMBL874191

SCHEMBL874191

O=C(Nc1ccc(CCS(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.42
TNKS O95271 1/20 0.42
MEN1 O00255 4/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR139 Q6DWJ6 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 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 0.89 KMT2A (0.46) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL874194 0.87 ALOX15 (0.48) ALOX15KMT2AKDM4EALDH1A1TNKS
SCHEMBL874359 0.85 GPR139 (0.46) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL874844 0.85 KMT2A (0.46) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL877111 0.83 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL876900 0.83 GPR139 (0.44) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL874743 0.83 SMN1; SMN2 (0.42) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL875281 0.82 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL877387 0.81 TSHR (0.49) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL874657 0.81 GPR139 (0.48) KMT2AKDM4EALDH1A1MEN1TP53

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 ALOX15 175/4885KMT2A 3501/4885KDM4E 4398/4885

“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.