SCHEMBL13061925

SCHEMBL13061925

CCNC(=O)CSCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.35
FAAH O00519 1/20 0.34
ALOX15 P16050 1/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
BHMT Q93088 1/20 0.31
KMT2A Q03164 1/20 0.31
CAPN1 P07384 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL7659125 0.78 HPGD (0.49) MCL1FAAHHPGDUSP2HTT
SCHEMBL17570450 0.76 CES1 (0.50) MCL1FAAHALOX15ALDH1A1KMT2A
SCHEMBL15948655 0.74
SCHEMBL10766442 0.73 CES2 (0.60) FAAH
SCHEMBL23589693 0.73 CASP2 (0.42) GAAFAAHSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1405521 0.73 BHMT (0.53) SMN1; SMN2BHMTKMT2ACTSLCTSB
SCHEMBL8693439 0.73 ALDH1A1 (0.50) MCL1FAAHHPGDL3MBTL1CHRNB2
SCHEMBL25935846 0.71 CYP2D6 (0.55) GAAMCL1FAAHUSP2L3MBTL1
SCHEMBL26246759 0.71 CES2 (0.42) GAAMCL1FAAHHPGDHTT
SCHEMBL20034903 0.71 MAPK1 (0.43) MCL1FAAHHPGDUSP2HTT

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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F GAA 3237/4885MCL1 173/4885FAAH 1887/4885

“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.