SCHEMBL4187968

SCHEMBL4187968

C[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
CCR4 P51679 1/20 0.41
CCKBR P32239 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GHSR Q92847 1/20 0.39
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDPK1 O15530 1/20 0.35
C5AR1 P21730 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTR2C P28335 1/20 0.34
USP30 Q70CQ3 2/20 0.34
NSD2 O96028 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4204377 0.81 KDM4E (0.43) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL12050344 0.81 KDM4E (0.55) KDM4EPKMHTR6ALDH1A1LMNA
SCHEMBL4198105 0.81 NPC1 (0.49) KDM4EPKMALDH1A1
SCHEMBL14343828 0.80 MEN1 (0.49) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4189902 0.80 NPC1 (0.45) CCR2KDM4EPKMALDH1A1
SCHEMBL4190712 0.80 PPARG (0.46) CCR2CCKBRKDM4EPKMALDH1A1
SCHEMBL4190730 0.80 KDM4E (0.43) KDM4EPKMALDH1A1LMNAPOLB
SCHEMBL4199654 0.79 NPC1 (0.50) KDM4EPKMALDH1A1
SCHEMBL4197675 0.79 CCR2 (0.41) CCR2KDM4EPKMGHSRHTR1A
SCHEMBL4195304 0.79 CCR2 (0.41) CCR2KDM4EPKMGHSRHTR1A

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 CCR1 3024/4885CCR2 4308/4885CCR4 2893/4885

“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.