SCHEMBL17497271

SCHEMBL17497271

C=CCCC(=O)NC[C@H](OC(=O)CCC=C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ASAH1 Q13510 1/20 0.39
CYP2C19 P33261 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NAMPT P43490 1/20 0.36
DUT P33316 1/20 0.36
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
HPGD P15428 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL17497272 1.00 L3MBTL1 (0.41) L3MBTL1SLC1A2SLC1A1ASAH1CYP2C19
SCHEMBL17497201 0.83 L3MBTL1 (0.46) L3MBTL1CYP2C19PPARGPPARAFAAH
SCHEMBL17497198 0.83 L3MBTL1 (0.46) L3MBTL1CYP2C19PPARGPPARAFAAH
SCHEMBL2188924 0.77 L3MBTL1 (0.69) L3MBTL1PPARGPPARA
SCHEMBL2188918 0.77 L3MBTL1 (0.69) L3MBTL1PPARGPPARA
SCHEMBL2188914 0.77 L3MBTL1 (0.69) L3MBTL1PPARGPPARA
SCHEMBL12508089 0.77 L3MBTL1 (0.69) L3MBTL1PPARGPPARA
SCHEMBL12418067 0.77 L3MBTL1 (0.69) L3MBTL1PPARGPPARA
SCHEMBL17497367 0.77 L3MBTL1 (0.53) L3MBTL1PPARGPPARA
SCHEMBL17497370 0.77 L3MBTL1 (0.53) L3MBTL1PPARGPPARA

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-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 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-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO L3MBTL1 188/4885SLC1A2 4537/4885SLC1A1 4492/4885

“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.