SCHEMBL3566349

SCHEMBL3566349

O=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
HTR6 P50406 6/20 0.47
MMP2 P08253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C1 Q04828 1/20 0.45
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CPT1A P50416 4/20 0.43
CPT2 P23786 3/20 0.43
CPT1B Q92523 3/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL19643771 0.76 HTR6 (0.45) HTR6MEN1KMT2AMAPT
SCHEMBL23498074 0.71 ALDH1A1 (0.68) MEN1KMT2AALDH1A1AKR1C3AKR1C1
SCHEMBL7237249 0.71 HCRTR1 (0.54) MMP2MEN1KMT2AALDH1A1
SCHEMBL7237244 0.71 HCRTR1 (0.54) MMP2MEN1KMT2AALDH1A1
SCHEMBL22566212 0.70 MAPT (0.46) MMP2MEN1KMT2AALDH1A1MAPT
SCHEMBL2706446 0.70 HCRTR1 (0.61) MEN1KMT2AALDH1A1
SCHEMBL2706441 0.70 HCRTR1 (0.61) MEN1KMT2AALDH1A1
SCHEMBL5474250 0.70 HTR6 (0.45) HTR6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL27440114 0.69 LMNA (0.47) KCNA3MMP2MEN1KMT2AALDH1A1
SCHEMBL2906296 0.68 AKR1C3 (0.67) AKR1C3AKR1C1MAPTCPT1ACPT2

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 3 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
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 KCNA3 4175/4885HTR6 1467/4885MMP2 2739/4885

“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.