SCHEMBL877249

SCHEMBL877249

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL878119 0.97 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL874830 0.96 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL874492 0.86 KMT2A (0.49) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL877111 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL874274 0.85 MMP2 (0.48) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL875281 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL875318 0.83 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL874387 0.83 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL878191 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4EHTT
SCHEMBL874410 0.83 HTT (0.54) ALDH1A1KMT2AMEN1KDM4EHTT

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 2281/4885KMT2A 3501/4885MEN1 1755/4885

“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.