SCHEMBL6522607

SCHEMBL6522607

CCCCCCCCCCCCCCCCSCC(Nc1cc(C)ccn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
FDPS P14324 1/20 0.42
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 2/20 0.40
GBA1 P04062 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ITGB1 P05556 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA5 P08648 1/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL6524196 0.88 ICMT (0.35) KDM4EHPGDTP53MAPTALDH1A1
SCHEMBL6518242 0.84 ICMT (0.38) TP53MAPTITGB1CYP2C9ITGA4
SCHEMBL6521346 0.84 ALOX12 (0.47) KDM4EFDPSRAB9ASMN1; SMN2NPC1
SCHEMBL6521996 0.83 KDM4E (0.41) KDM4EHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6520453 0.78 GMNN (0.40) TP53MAPTCYP2C9
SCHEMBL6524114 0.78 RAB9A (0.41) FDPSRAB9ASMN1; SMN2NPC1TP53
SCHEMBL13760359 0.78 ICMT (0.41) KDM4EHPGDFDPSRAB9ASMN1; SMN2
SCHEMBL6524319 0.77 FDPS (0.42) KDM4EFDPSRAB9ASMN1; SMN2NPC1
SCHEMBL6527550 0.77 HCAR3 (0.38) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL3429743 0.77 FAAH (0.39) TP53MAPTCYP2C9

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 KDM4E 3317/4885HPGD 329/4885FDPS 1579/4885

“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.