SCHEMBL3580222

SCHEMBL3580222

CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(F)c2)CC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
TP53 P04637 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CPT1A P50416 6/20 0.58
CPT1B Q92523 6/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
MAPK1 P28482 1/20 0.58
CPT2 P23786 4/20 0.57
RORC P51449 3/20 0.56
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NR1I2 O75469 1/20 0.51
RORA P35398 1/20 0.51
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51

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
SCHEMBL3582338 0.95 RORC (0.63) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3568966 0.88 MAPT (0.60) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3570410 0.87 MAPT (0.54) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3568662 0.86 CPT1A (0.67) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3573402 0.86 CPT1A (0.65) MAPTCPT1ACPT1BCPT2RORC
SCHEMBL765427 0.86 CPT1A (0.62) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3570060 0.85 CPT1A (0.71) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3569709 0.85 CPT1A (0.66) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3572627 0.83 CPT1A (0.79) MAPTTP53SMN1; SMN2CPT1ACPT1B
SCHEMBL3568603 0.83 CPT1A (0.64) MAPTCPT1ACPT1BLMNACPT2

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 MAPT 1807/4885TP53 3683/4885SMN1; SMN2 4215/4885

“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.