SCHEMBL12050344

SCHEMBL12050344

C[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 7/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 1/20 0.37
HTR6 P50406 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL4184516 0.91 KDM4E (0.53) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4193899 0.91 PKM (0.53) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4202174 0.91 KDM4E (0.53) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4194586 0.90 KDM4E (0.52) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4199567 0.90 KDM4E (0.52) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4190400 0.90 KDM4E (0.52) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL4187979 0.90 KDM4E (0.52) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL14343791 0.89 PKM (0.52) KDM4EPKMLMNAPOLBMEN1
SCHEMBL4188316 0.89 KDM4E (0.51) KDM4EPKMLMNAPOLBALDH1A1
SCHEMBL12050329 0.89 PKM (0.51) KDM4EPKMLMNAPOLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 KDM4E 3328/4885PKM 1855/4885LMNA 2332/4885

“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.