SCHEMBL3690902

SCHEMBL3690902

CCCCCCCCCCc1ccc(S(=O)(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
AKT1 P31749 4/20 0.40
IRS1 P35568 3/20 0.40
GAB1 Q13480 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
S1PR4 O95977 6/20 0.38
S1PR1 P21453 6/20 0.38
S1PR5 Q9H228 6/20 0.38
S1PR3 Q99500 4/20 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
SCHEMBL3691243 0.99 FAAH (0.40) FAAHAKT1IRS1GAB1CA12
SCHEMBL3682807 0.86 MMP2 (0.36) FAAHAKT1IRS1GAB1
Trifluoroacetic Acid SCHEMBL3690901 0.84 S1PR2 (0.46) FAAHAKT1IRS1GAB1CA12
Trifluoroacetic Acid SCHEMBL3691236 0.84 NPSR1 (0.46) FAAHAKT1IRS1GAB1S1PR4
SCHEMBL3678098 0.84 PKM (0.48)
SCHEMBL4749013 0.84 PKM (0.48)
Trifluoroacetic Acid SCHEMBL3691241 0.83 S1PR2 (0.44) FAAHAKT1IRS1GAB1S1PR4
SCHEMBL3679728 0.83 MMP9 (0.53)
SCHEMBL13409989 0.82 S1PR2 (0.52) AKT1IRS1GAB1CA12CA1
SCHEMBL13409941 0.81 S1PR2 (0.50) AKT1IRS1GAB1CA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO claimed
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 FAAH 917/4885AKT1 2790/4885IRS1 2603/4885

“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.