SCHEMBL981069

SCHEMBL981069

CCCCCc1ccc(S(=O)(=O)NC2(CC(=O)OC(=O)C(F)(F)F)CNC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ AKT1 P31749 8/20 0.39
▸ IRS1 P35568 3/20 0.39
▸ GAB1 Q13480 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 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
SCHEMBL3942639 0.91 FAAH (0.40) FAAHAKT1IRS1GAB1LMNA
SCHEMBL977637 0.88 FAAH (0.38) FAAHAKT1IRS1GAB1LMNA
SCHEMBL1081760 0.88 FAAH (0.38) FAAHAKT1IRS1GAB1LMNA
SCHEMBL980153 0.86 FAAH (0.39) FAAHDRD2DRD3KCNH2CA2
SCHEMBL979818 0.86 FAAH (0.37) FAAHAKT1IRS1GAB1LMNA
SCHEMBL977573 0.86 DRD2 (0.40) FAAHAKT1IRS1GAB1LMNA
SCHEMBL3946349 0.86 FAAH (0.38) FAAHAKT1IRS1GAB1LMNA
Trifluoroacetic Acid SCHEMBL981068 0.85 S1PR4 (0.43) FAAHAKT1IRS1GAB1LMNA
SCHEMBL978076 0.85 AKT1 (0.49) AKT1IRS1GAB1LMNAHTT
SCHEMBL979297 0.84 DRD2 (0.37) FAAHAKT1IRS1GAB1LMNA

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 FAAH 928/4885AKT1 2154/4885IRS1 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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