SCHEMBL981231

SCHEMBL981231

CCCCCc1ccc(S(=O)(=O)NC2(CC(=O)OC)CCC[N+](C)(C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 11/20 0.38
▸ GAB1 Q13480 4/20 0.38
▸ IRS1 P35568 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP13 P45452 1/20 0.35

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
SCHEMBL12923323 0.90 AKT1 (0.43) AKT1GAB1IRS1LMNAHTT
SCHEMBL978926 0.89 FAAH (0.35) AKT1GAB1IRS1LMNAHTT
SCHEMBL977960 0.86 CA12 (0.37) CA2CA12CA1CA9KDM4E
Iodide SCHEMBL977621 0.86 AKT1 (0.45) AKT1GAB1IRS1LMNAHTT
Trifluoroacetic Acid SCHEMBL978924 0.84 AKT1 (0.39) AKT1GAB1IRS1LMNAHTT
SCHEMBL12923347 0.84 AKT1 (0.45) AKT1GAB1IRS1LMNAHTT
SCHEMBL15590092 0.83 FAAH (0.36) AKT1GAB1IRS1LMNAHTT
Iodide SCHEMBL978749 0.81 AKT1 (0.48) AKT1GAB1IRS1LMNAHTT
SCHEMBL979710 0.81 DRD2 (0.40) AKT1GAB1IRS1LMNAHTT
Iodide SCHEMBL980308 0.80 AKT1 (0.46) AKT1GAB1IRS1LMNAHTT

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-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 AKT1 2154/4885GAB1 1423/4885IRS1 1546/4885

“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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