SCHEMBL13972829

SCHEMBL13972829

CCNCc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
TP53 P04637 1/20 0.64
GAA P10253 1/20 0.64
TPSAB1 Q15661 1/20 0.55
POLB P06746 2/20 0.54
TAAR1 Q96RJ0 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PRMT1 Q99873 1/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 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
SCHEMBL13972683 0.92 TAAR1 (0.62) ALDH1A1POLBTAAR1HSD17B10PRMT1
SCHEMBL4520992 0.89 ALDH1A1 (0.77) ALDH1A1TP53GAATPSAB1POLB
SCHEMBL13973174 0.86 KEAP1 (0.69) ALDH1A1GAAPOLBPRMT1MAPT
SCHEMBL13959181 0.83 ALDH1A1 (0.67) ALDH1A1TP53GAATPSAB1POLB
SCHEMBL407477 0.82 ALDH1A1 (1.00) ALDH1A1TP53GAATPSAB1POLB
SCHEMBL28808214 0.81 ALDH1A1 (0.79) ALDH1A1TP53GAAPOLBTAAR1
SCHEMBL13889021 0.80 ALDH1A1 (0.81) ALDH1A1TP53GAATPSAB1POLB
SCHEMBL13972873 0.80 MEN1 (0.66) ALDH1A1TP53GAAHSD17B10PRMT1
SCHEMBL13973175 0.80 ALDH1A1 (0.65) ALDH1A1GAAPOLBTAAR1MAPT
SCHEMBL1287382 0.79 TAAR1 (0.82) ALDH1A1TP53GAAPOLBTAAR1

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-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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 (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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP ALDH1A1 4742/4885TP53 3685/4885GAA 1055/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP ALDH1A1 4742/4885TP53 3685/4885GAA 1055/4885

“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.