SCHEMBL4434545

SCHEMBL4434545

COC(=O)c1cc(N)c(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
EZH2 Q15910 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
DPP4 P27487 1/20 0.44
EPHX1 P07099 1/20 0.42
HDAC1 Q13547 2/20 0.42
SCN9A Q15858 1/20 0.42
NSD2 O96028 1/20 0.42
HDAC2 Q92769 1/20 0.42
PTPN2 P17706 1/20 0.42

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
SCHEMBL18425256 0.89 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL14008492 0.88 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3107643 0.86 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4444816 0.84 ALDH1A1 (0.47) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4647276 0.84 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4648718 0.83 ALDH1A1 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4647099 0.83 ALDH1A1 (0.51) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23970709 0.83 ROCK2 (0.51) ALDH1A1MAPTMAPK1
SCHEMBL30850093 0.83 ROCK2 (0.51) ALDH1A1MAPTMAPK1
SCHEMBL16876752 0.82 GPR119 (0.52) ALDH1A1NPC1MAPTMAPK1HTT

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
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A ALDH1A1 2622/4885NPC1 268/4885MAPT 1776/4885

“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.