SCHEMBL3582338

SCHEMBL3582338

CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(F)c2)CCC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.63
CPT1A P50416 5/20 0.61
CPT1B Q92523 5/20 0.61
CPT2 P23786 3/20 0.61
MAPT P10636 4/20 0.57
NR3C1 P04150 2/20 0.57
AR P10275 2/20 0.57
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1I2 O75469 1/20 0.53
RORA P35398 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53

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
SCHEMBL3580222 0.95 MAPT (0.64) RORCCPT1ACPT1BCPT2MAPT
SCHEMBL3573402 0.91 CPT1A (0.65) RORCCPT1ACPT1BCPT2MAPT
SCHEMBL3570060 0.90 CPT1A (0.71) RORCCPT1ACPT1BCPT2MAPT
SCHEMBL3569709 0.90 CPT1A (0.66) RORCCPT1ACPT1BCPT2MAPT
SCHEMBL30015188 0.88 CPT1A (0.74) RORCCPT1ACPT1BCPT2NR3C1
SCHEMBL3570983 0.88 CPT1A (0.74) RORCCPT1ACPT1BCPT2NR3C1
SCHEMBL765427 0.84 CPT1A (0.62) CPT1ACPT1BCPT2MAPTTP53
SCHEMBL3576030 0.84 CPT1A (0.80) RORCCPT1ACPT1BCPT2MAPT
SCHEMBL3568966 0.84 MAPT (0.60) CPT1ACPT1BCPT2MAPTNR3C1
SCHEMBL3570410 0.84 MAPT (0.54) CPT1ACPT1BCPT2MAPTTP53

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-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 RORC 2492/4885CPT1A 1/4885CPT1B 2/4885

“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.