SCHEMBL4784637

SCHEMBL4784637

CCCCCCCCOCC(N)(CO)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.52
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 1/20 0.44
SPHK2 Q9NRA0 2/20 0.43
CES2 O00748 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
TNNC1 P63316 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR4 O95977 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR5 Q9H228 3/20 0.42
SGPL1 O95470 1/20 0.42
GPR183 P32249 1/20 0.42
CERS2 Q96G23 1/20 0.42
S1PR2 O95136 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL21428606 0.92 TSHR (0.48) CES1HTTMEN1THRBKMT2A
SCHEMBL13165938 0.87 CES1 (0.53) CES1HTTMEN1THRBKMT2A
SCHEMBL9978439 0.86 ALDH1A1 (0.46) CES1TNNC1
SCHEMBL9978437 0.86 ALDH1A1 (0.46) CES1TNNC1
SCHEMBL1236250 0.86 ALDH1A1 (0.54)
SCHEMBL9898738 0.86 ALDH1A1 (0.54)
SCHEMBL1236246 0.86 ALDH1A1 (0.54)
SCHEMBL9898742 0.86 ALDH1A1 (0.54)
SCHEMBL6259805 0.82 HTT (0.53) CES1HTTMEN1THRBKMT2A
SCHEMBL6261065 0.82 HTT (0.53) CES1HTTMEN1THRBKMT2A

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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
WO-2008048043-A1 USE OF SPHINGOSYLPHOSPHORYLCHOLINE MODULATOR FOR INHIBITING EXPRESSION OF CCL27/CTACK AMOREPACIFIC CORPORATION (KR) 2008-04-24 WO disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 WO disclosed
WO-2007136159-A1 USE OF SPHINGOSYLPHOSPHORYLCHOLINE ANTAGONIST FOR RESTORING THE EXPRESSION OF ANTIMICROBIAL PEPTIDES AMOREPACIFIC CORPORATION (KR) 2007-11-29 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP CES1 2865/4885HTT 21/4885MEN1 2310/4885

“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.