SCHEMBL4197319

SCHEMBL4197319

CC(CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 4/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4198105 0.89 NPC1 (0.49) KDM4EALDH1A1NPC1PKMMCOLN3
SCHEMBL4199654 0.88 NPC1 (0.50) KDM4EALDH1A1NPC1PKMMCOLN3
SCHEMBL4202523 0.88 PKM (0.51) KDM4EPOLBALDH1A1NPC1PKM
SCHEMBL4197632 0.87 KDM4E (0.39) KDM4EPOLBALDH1A1PKMMAPT
SCHEMBL4194027 0.87 PKM (0.52) KDM4EALDH1A1NPC1PKMGAA
SCHEMBL4189902 0.85 NPC1 (0.45) KDM4EALDH1A1NPC1PKMMCOLN3
SCHEMBL4708756 0.84 KDM4E (0.41) KDM4EPOLBALDH1A1NPC1PKM
SCHEMBL4199715 0.84 KDM4E (0.45) KDM4EALDH1A1PKMGAATSHR
SCHEMBL4197992 0.84 MEN1 (0.42) KDM4EALDH1A1NPC1PKMMCOLN3
SCHEMBL4195557 0.83 NPC1 (0.39) KDM4EALDH1A1NPC1PKMMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
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
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 KDM4E 3328/4885POLB 215/4885ALDH1A1 2744/4885

“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.