SCHEMBL2828290

SCHEMBL2828290

CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 2/20 0.52
AVPR2 P30518 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
CPT1A P50416 2/20 0.51
CPT1B Q92523 2/20 0.51
CPT2 P23786 1/20 0.51
PTBP1 P26599 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GRM5 P41594 1/20 0.49
AR P10275 1/20 0.49
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2828060 0.94 LMNA (0.52) GPR27AVPR2HIF1ASMN1; SMN2LMNA
SCHEMBL2828110 0.90 LMNA (0.53) GPR27AVPR2SMN1; SMN2LMNAMEN1
SCHEMBL2825255 0.88 AVPR2 (0.59) GPR27AVPR2LMNACPT1ACPT1B
SCHEMBL2827058 0.87 MEN1 (0.55) GPR27AVPR2HIF1ASMN1; SMN2LMNA
SCHEMBL2828894 0.86 SMN1; SMN2 (0.63) HIF1ASMN1; SMN2LMNACPT1ACPT1B
SCHEMBL2828039 0.82 LMNA (0.67) HIF1ASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL2824639 0.82 GPR27 (0.57) GPR27AVPR2CPT1ACPT1BCPT2
SCHEMBL2826890 0.80 SMN1; SMN2 (0.64) SMN1; SMN2LMNACPT1ACPT1BCPT2
SCHEMBL2828881 0.79 CPT1A (0.65) SMN1; SMN2LMNACPT1ACPT1BCPT2
SCHEMBL2826770 0.78 KMT2A (0.58) GPR27AVPR2LMNAMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2012-09-13 US disclosed
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD (DE) 2011-12-29 US disclosed
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS BLEICHER KONRAD 2010-06-10 US disclosed
US-7723538-B2 enzyme inhibitors of membrane-bound carnitine-dependent palmitoyltransferases (CPTs); inhibit gluconeogenesis and therefore counteract hyperglycemia; 4-(3-Benzenesulfonylamino-benzoylamino)-benzoic acid HOFFMANN-LA ROCHE INC. (US) 2010-05-25 US disclosed
EP-1891001-B1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-1891001-A1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS F. Hoffmann-Roche AG (CH) 2008-02-27 EP disclosed
WO-2006131452-A1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-14 WO disclosed
US-20060276494-A1 Novel sulfonamides as L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 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 (4 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-20060276494-A1 Novel sulfonamides as L-CPT1 inhibitors CPT1A, CPT1B, CPT2 GPR27 2547/4885AVPR2 2614/4885HIF1A 851/4885
US-20120232104-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 GPR27 2547/4885AVPR2 2614/4885HIF1A 851/4885
US-20100144762-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 GPR27 2547/4885AVPR2 2614/4885HIF1A 851/4885
US-20110319438-A1 NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 GPR27 2547/4885AVPR2 2614/4885HIF1A 851/4885

“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.