SCHEMBL4204407

SCHEMBL4204407

C[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(-c2cccc(CO)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
HPGDS O60760 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MMP13 P45452 4/20 0.34
MMP1 P03956 2/20 0.34
USP30 Q70CQ3 2/20 0.33
CAPN1 P07384 1/20 0.33
GHSR Q92847 1/20 0.33
PPM1D O15297 1/20 0.33
F2 P00734 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ACLY P53396 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 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
SCHEMBL4195646 0.93 KDM4E (0.37) KDM4EPKMPTGES2MMP13MMP1
SCHEMBL4185970 0.91 KDM4E (0.40) KDM4EPKMMMP13MMP1USP30
SCHEMBL14343886 0.91 F2RL1 (0.39) KDM4EPKMHSD17B1HSD17B2MMP13
SCHEMBL4197564 0.90 KDM4E (0.39) KDM4EPKMMMP13MMP1GHSR
SCHEMBL4198366 0.89 KDM4E (0.35) KDM4EPKMMMP13MMP1USP30
SCHEMBL4203709 0.89 GHSR (0.43) KDM4EPKMPTGES2MMP13MMP1
SCHEMBL4197519 0.89 GHSR (0.43) KDM4EPKMPTGES2MMP13MMP1
SCHEMBL4195168 0.88 ALDH1A1 (0.40) KDM4EPKMMMP13MMP1USP30
SCHEMBL4200093 0.88 ALDH1A1 (0.40) KDM4EPKMMMP13MMP1USP30
SCHEMBL14343747 0.88 PPM1D (0.41) KDM4EPKMMMP13MMP1USP30

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 1855/4885PTGES2 4392/4885

“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.