SCHEMBL6524319

SCHEMBL6524319

CCCCCCCCCCCCCCCCSCC(Nc1ncccc1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TLR8 Q9NR97 1/20 0.37
FAAH O00519 3/20 0.37
DAGLA Q9Y4D2 2/20 0.37

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
SCHEMBL6520453 0.83 GMNN (0.40) CYP2C9MAPTFAAHDAGLA
SCHEMBL6521346 0.81 ALOX12 (0.47) FDPSRAB9ANPC1HTTSMN1; SMN2
SCHEMBL6522607 0.77 KDM4E (0.46) FDPSRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL6518242 0.77 ICMT (0.38) CYP2C9MAPT
SCHEMBL6524114 0.76 RAB9A (0.41) FDPSRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6521996 0.76 KDM4E (0.41) RAB9ANPC1SMN1; SMN2KDM4ECYP2C9
SCHEMBL3429743 0.74 FAAH (0.39) CYP2C9MAPTFAAH
SCHEMBL6524273 0.74 L3MBTL1 (0.43) FDPSSMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL6524718 0.74 ICMT (0.37) CYP2C9MAPT
SCHEMBL12793162 0.74 FDPS (0.38) FDPSSMN1; SMN2CYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
WO-2009102997-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2009-08-20 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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT FDPS 1579/4885RAB9A 542/4885NPC1 1651/4885

“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.