SCHEMBL753131

SCHEMBL753131

CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 3/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
CYP19A1 P11511 1/20 0.53
CTSV O60911 2/20 0.53
CTSL P07711 2/20 0.53
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 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
SCHEMBL751204 0.88 MAPT (0.69) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL5299658 0.81 ABCB1 (0.55) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL7344812 0.80 MEN1 (0.57) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL2682298 0.78 CTSV (0.49) MAPTMEN1KMT2APOLBCYP19A1
SCHEMBL16004812 0.76 MEN1 (0.64) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL6817979 0.76 POLB (0.79) MAPTMEN1KMT2APOLBCTDSP1
SCHEMBL24710962 0.75 KMT2A (1.00) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL751415 0.75 KMT2A (0.62) MAPTMEN1KMT2APOLBCTSV
SCHEMBL965943 0.75 ALDH1A1 (0.63) MAPTMEN1KMT2APOLBCYP19A1
SCHEMBL29368594 0.75 ALDH1A1 (0.63) MAPTMEN1KMT2APOLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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 (3 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-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 MAPT 3162/4885MEN1 4556/4885KMT2A 2316/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 MAPT 3162/4885MEN1 4556/4885KMT2A 2316/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 MAPT 3162/4885MEN1 4556/4885KMT2A 2316/4885

“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.