SCHEMBL14433740

SCHEMBL14433740

O=C(O)C(CSSCC(C(=O)O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
GAA P10253 2/20 0.66
POLB P06746 4/20 0.64
KDM4E B2RXH2 1/20 0.64
TP53 P04637 1/20 0.64
GLA P06280 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
NFKB1 P19838 1/20 0.64
APEX1 P27695 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.54
HIF1A Q16665 1/20 0.54
AADAT Q8N5Z0 1/20 0.51
DNMT1 P26358 7/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL13589994 1.00 ALDH1A1 (0.66) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14588651 1.00 ALDH1A1 (0.66) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14625732 0.83 ALDH1A1 (0.57) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL22502343 0.82 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL7429057 0.82 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14680937 0.82 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL11589354 0.81 ALDH1A1 (0.71) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL512529 0.81 ALDH1A1 (0.71) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL20835844 0.81 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL512864 0.81 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS ALDH1A1 1953/4885GAA 19/4885POLB 1367/4885

“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.