SCHEMBL980126

SCHEMBL980126

CCCCCc1ccc(S(=O)(=O)NC2(CC(=O)OCC)CCNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 8/20 0.46
▸ IRS1 P35568 3/20 0.46
▸ GAB1 Q13480 3/20 0.46
▸ DRD2 P14416 4/20 0.38
▸ DRD3 P35462 4/20 0.38
▸ HTR6 P50406 3/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ MLNR O43193 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL978076 0.92 AKT1 (0.49) AKT1IRS1GAB1DRD2DRD3
SCHEMBL979858 0.83 AKT1 (0.47) AKT1IRS1GAB1DRD2DRD3
SCHEMBL978720 0.83 AKT1 (0.48) AKT1IRS1GAB1DRD2DRD3
Iodide SCHEMBL980308 0.82 AKT1 (0.46) AKT1IRS1GAB1LMNAHTT
Iodide SCHEMBL978749 0.82 AKT1 (0.48) AKT1IRS1GAB1LMNAHTT
SCHEMBL979272 0.82 AKT1 (0.46) AKT1IRS1GAB1DRD2DRD3
SCHEMBL981221 0.81 SPHK1 (0.51) —
SCHEMBL979271 0.81 AKT1 (0.47) AKT1IRS1GAB1LMNAHTT
Iodide SCHEMBL977621 0.81 AKT1 (0.45) AKT1IRS1GAB1LMNAHTT
SCHEMBL3941641 0.80 AKT1 (0.42) AKT1IRS1GAB1DRD2DRD3

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 3 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
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 AKT1 2154/4885IRS1 1546/4885GAB1 1423/4885

“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.

Send feedback