SCHEMBL3572213

SCHEMBL3572213

O=C(O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.72
AKR1C1 Q04828 1/20 0.72
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MCL1 Q07820 2/20 0.60
DRD3 P35462 6/20 0.60
HTR6 P50406 6/20 0.60
DRD2 P14416 3/20 0.60
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
LMNA P02545 1/20 0.56
STAT3 P40763 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL2510105 0.89 MCL1 (0.75) AKR1C3AKR1C1MEN1KMT2AMCL1
SCHEMBL25073172 0.88 RORC (0.64) AKR1C3AKR1C1MEN1KMT2AMCL1
SCHEMBL2906296 0.87 AKR1C3 (0.67) AKR1C3AKR1C1CASP3SENP8SENP7
SCHEMBL3568191 0.87 MAPT (0.69) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL30600086 0.87 MAPT (0.69) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL3577040 0.86 MAPT (0.57) AKR1C3AKR1C1MEN1KMT2ADRD3
SCHEMBL2906044 0.85 CPT1A (0.64) AKR1C3AKR1C1MEN1KMT2AMCL1
SCHEMBL665198 0.84 MEN1 (0.87) AKR1C3AKR1C1MEN1KMT2AMCL1
SCHEMBL663840 0.84 AKR1C3 (1.00) AKR1C3AKR1C1MEN1KMT2ACASP3
SCHEMBL15101435 0.82 MCL1 (0.86) AKR1C3AKR1C1MEN1KMT2AMCL1

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 AKR1C3 281/4885AKR1C1 122/4885MEN1 4245/4885

“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.