SCHEMBL2898461

SCHEMBL2898461

COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 12/20 0.60
CPT1B Q92523 12/20 0.60
CPT2 P23786 7/20 0.60
TSHR P16473 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPK1 P28482 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
SCHEMBL2898348 0.83 CPT1A (0.64) CPT1ACPT1BCPT2TSHRMCOLN3
SCHEMBL4561216 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1RAB9AMAPK1
SCHEMBL2904635 0.81 KMT2A (0.67) CPT1ACPT1BCPT2TSHRMCOLN3
SCHEMBL2901204 0.80 CPT1A (0.82) CPT1ACPT1BCPT2KMT2A
SCHEMBL2904676 0.77 CPT1A (0.75) CPT1ACPT1BCPT2KMT2AKDM4E
SCHEMBL2897793 0.76 CPT1A (0.82) CPT1ACPT1BCPT2KMT2A
SCHEMBL29767731 0.75 NLRP3 (0.57) KMT2AMEN1ALDH1A1
SCHEMBL3575579 0.75 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL30015415 0.75 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL5915340 0.75 MEN1 (0.61) KMT2AMEN1POLB

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
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
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

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-20080153805-A1 SULFONAMIDE DERIVATIVES CPT1A, SULT2A1, SULT1A1 CPT1A 1/4885CPT1B 5/4885CPT2 7/4885

“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.