SCHEMBL15044894

SCHEMBL15044894

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CC1=CCc2ccccc21)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
ICMT O60725 1/20 0.35
ALB P02768 1/20 0.35
NOD1 Q9Y239 2/20 0.34
TACR1 P25103 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NAMPT P43490 2/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL15044785 0.77 CSNK1E (0.46) NPC1JAK2RAB9APAX8ICMT
SCHEMBL16525596 0.77 CSNK1E (0.46) NPC1JAK2RAB9APAX8ICMT
SCHEMBL28357247 0.77 CSNK1E (0.46) NPC1JAK2RAB9APAX8ICMT
SCHEMBL28357249 0.77 CSNK1E (0.46) NPC1JAK2RAB9APAX8ICMT
SCHEMBL4237993 0.72 KCNH2 (0.47) NPC1JAK2RAB9APAX8ICMT
SCHEMBL15044787 0.70 NOD1 (0.38) NPC1JAK2RAB9APAX8MMP1
SCHEMBL13607877 0.70 SLC7A5 (0.50) LMNAHTR6
SCHEMBL5320574 0.70 SLC7A5 (0.50) LMNAHTR6
SCHEMBL15044881 0.70 NOD1 (0.38) NPC1RAB9ANOD1LMNA
SCHEMBL15044806 0.70 CYP1A2 (0.41) NPC1JAK2RAB9APAX8NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 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-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NPC1 341/4885JAK2 1351/4885RAB9A 1401/4885

“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.