SCHEMBL1000799

SCHEMBL1000799

CCCCCCCCCCCC(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.79
POLB P06746 2/20 0.63
GAA P10253 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PDE1C Q14123 1/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
SCD O00767 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MME P08473 1/20 0.48

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
SCHEMBL7753510 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7759510 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7757237 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7756269 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7961322 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7753534 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7753522 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7757262 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7961319 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B
SCHEMBL7974926 0.93 PDE5A (0.69) PDE5APOLBGAAPDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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 (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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 PDE5A 3580/4885POLB 1631/4885GAA 945/4885

“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.