SCHEMBL4193517

SCHEMBL4193517

C[C@H](NCc1ccccc1NS(=O)(=O)c1cc2ccccc2s1)[C@@H](O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CCR2 P41597 1/20 0.40
MMP13 P45452 1/20 0.39
MCL1 Q07820 1/20 0.39
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GHSR Q92847 1/20 0.37
F10 P00742 1/20 0.37
HDAC1 Q13547 1/20 0.36
TRPA1 O75762 1/20 0.34
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
HTR1A P08908 1/20 0.33
KIT P10721 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4193520 1.00 KDM4E (0.41) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4195304 0.83 CCR2 (0.41) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4200095 0.83 CCR2 (0.41) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4197675 0.83 CCR2 (0.41) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4190323 0.83 NPC1 (0.47) KDM4EPKMALDH1A1
SCHEMBL4190326 0.83 NPC1 (0.47) KDM4EPKMALDH1A1
SCHEMBL4192385 0.82 CCR2 (0.41) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4184166 0.80 CCR2 (0.43) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4195628 0.78 CCR2 (0.40) KDM4EPKMCCR2MMP13MCL1
SCHEMBL4193400 0.77 KDM4E (0.37) KDM4EPKMGHSRPOLB

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 6 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

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 1855/4885CCR2 4308/4885

“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.