SCHEMBL990327

SCHEMBL990327

CCCCCOc1ccc(S(=O)(=O)NCCN)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 4/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
CA7 P43166 2/20 0.56
ALDH1A1 P00352 6/20 0.55
CYP3A4 P08684 1/20 0.54
HTT P42858 4/20 0.53
KCNA5 P22460 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP2C9 P11712 1/20 0.52

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
Hydrochloric Acid SCHEMBL27202554 0.97 ADAMTS4 (0.55) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3372068 0.93 MEN1 (0.59) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3369963 0.92 MEN1 (0.61) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3374629 0.91 MEN1 (0.60) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL991980 0.91 MEN1 (0.60) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL9078385 0.88 MEN1 (0.63) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL991010 0.88 ADAMTS4 (0.52) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL15616258 0.85 ALDH1A1 (0.56) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3415587 0.83 ADAMTS4 (0.52) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL24069389 0.82 MEN1 (0.63) ADAMTS4MMP1MMP2MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-05-24 US disclosed
CN-102307903-A Novel semi-synthetic glycopeptides as antibacterial agents LEAD THERAPEUTICS INC 2012-01-04 CN disclosed
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
CN-101959849-A Novel semi-synthetic glycopeptides as antibacterial agents LEAD THERAPEUTICS INC 2011-01-26 CN disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
EP-2238102-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS Lead Therapeutics, Inc. (US) 2010-10-13 EP disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed
WO-2009085562-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2009-07-09 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 (4 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 ADAMTS4 1752/4885MMP1 3734/4885MMP2 1875/4885
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, SI, DNPEP ADAMTS4 984/4885MMP1 1188/4885MMP2 818/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 ADAMTS4 1956/4885MMP1 3755/4885MMP2 2052/4885
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 ADAMTS4 1427/4885MMP1 1412/4885MMP2 670/4885

“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.