SCHEMBL3100704

SCHEMBL3100704

COC(=O)C(C)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(C)ccc2OC)CCC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 17/20 0.74
CPT1B Q92523 17/20 0.74
CPT2 P23786 13/20 0.74
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL3835855 0.94 CPT1A (0.70) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2900551 0.94 CPT1A (0.76) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL3835852 0.92 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2907983 0.92 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2904140 0.89 CPT1A (0.76) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL3841719 0.88 CPT1A (0.74) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL3841723 0.87 CPT1A (0.73) CPT1ACPT1BCPT2ALDH1A1KMT2A
SCHEMBL2898641 0.85 CPT1A (1.00) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL2903506 0.84 CPT1A (0.84) CPT1ACPT1BCPT2ALDH1A1
SCHEMBL3565296 0.82 CPT1A (0.75) 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 2 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
US-20080153805-A1 SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-26 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-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.