SCHEMBL980157

SCHEMBL980157

CCCCCCCCc1ccc(NS(=O)(=O)NC2(CC(=O)OCC)CNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.43
▸ IRS1 P35568 2/20 0.43
▸ GAB1 Q13480 2/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SPHK1 Q9NYA1 6/20 0.39
▸ ACLY P53396 1/20 0.39
▸ THRA P10827 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL12948991 0.88 S1PR1 (0.43) CA12CA1CA2CA9SPHK1
SCHEMBL980153 0.86 FAAH (0.39) CA12CA1CA2CA9SPHK1
SCHEMBL979245 0.85 AKT1 (0.41) AKT1IRS1GAB1CA12CA1
Iodide SCHEMBL982299 0.85 AKT1 (0.41) AKT1IRS1GAB1CA12CA1
SCHEMBL978076 0.85 AKT1 (0.49) AKT1IRS1GAB1CA12CA1
Trifluoroacetic Acid SCHEMBL980152 0.82 S1PR1 (0.43) CA12CA1CA2CA9ACLY
SCHEMBL979925 0.82 EPHX2 (0.47) CA12CA1CA2CA9SPHK1
SCHEMBL980126 0.77 AKT1 (0.46) AKT1IRS1GAB1CA12CA1
SCHEMBL980299 0.77 EPHX2 (0.44) CA12CA1CA2CA9SPHK1
SCHEMBL12923378 0.76 S1PR1 (0.44) CA12CA1CA2CA9SPHK1

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.

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