SCHEMBL13314711

SCHEMBL13314711

Cn1cc(C(=O)O)c(=O)c2sc(S(C)(=O)=O)nc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL13314716 0.77 MEN1 (0.36) LMNAALDH1A1KMT2AMEN1ABCC4
SCHEMBL9835125 0.64 HSD17B10 (0.43) LMNAALDH1A1MAPK1KMT2AMEN1
SCHEMBL11712299 0.63 LMNA (0.40) LMNAALDH1A1KMT2AMEN1ABCC4
SCHEMBL11407347 0.63 MEN1 (0.68) LMNAALDH1A1MAPK1KMT2AMEN1
SCHEMBL9836136 0.63 DAO (0.42) LMNAALDH1A1KMT2AMEN1
SCHEMBL16166425 0.62 ALDH1A1 (0.43) LMNAALDH1A1MAPK1KMT2AMEN1
SCHEMBL16469269 0.62 LMNA (0.49) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL7288734 0.62 KMT2A (0.42) LMNAKMT2AMEN1
SCHEMBL18966034 0.61 PIK3CB (0.36) ALDH1A1KMT2AMEN1IKBKBCHUK
SCHEMBL12665406 0.60 LMNA (0.47) LMNAKMT2AMEN1ABCC4PKM

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-7737159-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US disclosed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 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-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS LMNA 3464/4885ALDH1A1 2936/4885MAPK1 1217/4885

“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.