SCHEMBL3373313

SCHEMBL3373313

CCCOCCCOc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
TSHR P16473 5/20 0.54
CA7 P43166 3/20 0.54
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.43
MMP1 P03956 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL3401745 0.92 CA12 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL3369633 0.89 CA12 (0.51) CA12CA1CA2CA9TSHR
SCHEMBL232895 0.88 TSHR (0.68) CA12CA1CA2CA9TSHR
SCHEMBL1189822 0.88 CA12 (0.68) CA12CA1CA2CA9TSHR
SCHEMBL991363 0.85 TSHR (0.64) CA12CA1CA2CA9TSHR
SCHEMBL10608025 0.83 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL10610971 0.83 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL10606406 0.83 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL3369946 0.83 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL10708683 0.83 TSHR (0.62) CA12CA1CA2CA9TSHR

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CA12 993/4885CA1 2552/4885CA2 3594/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 CA12 767/4885CA1 2394/4885CA2 2937/4885

“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.