SCHEMBL2904635

SCHEMBL2904635

COc1ccc(Cl)cc1S(=O)(=O)N1CCCCc2ccc(Br)cc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CPT1A P50416 12/20 0.63
▸ CPT1B Q92523 12/20 0.63
▸ CPT2 P23786 7/20 0.63
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ HTR6 P50406 1/20 0.56
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ MCOLN3 Q8TDD5 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49

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
SCHEMBL2901204 0.85 CPT1A (0.82) KMT2ACPT1ACPT1BCPT2
SCHEMBL2898348 0.84 CPT1A (0.64) KMT2AMEN1CPT1ACPT1BCPT2
SCHEMBL2904676 0.84 CPT1A (0.75) KMT2ACPT1ACPT1BCPT2KDM4E
SCHEMBL752153 0.81 CPT1A (0.63) KMT2AMEN1CPT1ACPT1BCPT2
SCHEMBL2898461 0.81 CPT1A (0.60) KMT2AMEN1CPT1ACPT1BCPT2
SCHEMBL3571351 0.78 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL2897793 0.77 CPT1A (0.82) KMT2ACPT1ACPT1BCPT2
SCHEMBL2904385 0.76 CPT1A (0.73) CPT1ACPT1BCPT2
SCHEMBL3575579 0.75 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30015415 0.75 CPT1A (1.00) CPT1ACPT1BCPT2

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 10 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-7799933-B2 Sulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-21 — — US disclosed
EP-2097373-B1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) HOFFMANN LA ROCHE (CH) 2010-08-11 — — EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 — — US disclosed
EP-2097373-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. Hoffmann-Roche AG (CH) 2009-09-09 — — EP disclosed
US-20080153805-A1 SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-26 — — US disclosed
WO-2008074692-A1 SULFONAMIDE DERIVATIVES AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTL ) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — WO 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 (2 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 KMT2A 2659/4885MEN1 4245/4885CPT1A 1/4885
US-20080153805-A1 SULFONAMIDE DERIVATIVES CPT1A, SULT2A1, SULT1A1 KMT2A 2129/4885MEN1 4335/4885CPT1A 1/4885

“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.

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