SCHEMBL3680573

SCHEMBL3680573

CCCCCCOc1cccc(CCc2ccc(C(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
CYP2D6 P10635 2/20 0.39
GGPS1 O95749 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
P2RY10 O00398 4/20 0.38
KCNH2 Q12809 1/20 0.38
GPR174 Q9BXC1 3/20 0.37
GPR34 Q9UPC5 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3680571 0.88 CPT2 (0.50) CPT2CPT1ACPT1BCYP2D6GGPS1
Trifluoroacetic Acid SCHEMBL3680574 0.88 CPT2 (0.50) CPT2CPT1ACPT1BCYP2D6GGPS1
SCHEMBL13410041 0.87 CPT2 (0.51) CPT2CPT1ACPT1BCYP2D6CNR1
SCHEMBL3682672 0.87 FAAH (0.36) CPT2CPT1ACPT1B
SCHEMBL13444489 0.79 PPARA (0.48) CYP2D6GGPS1CNR1CNR2KCNH2
SCHEMBL3690943 0.79 PPARG (0.49) CPT2CPT1ACPT1B
SCHEMBL3688863 0.78 NPC1 (0.31)
SCHEMBL3681769 0.75 ALDH1A1 (0.43)
SCHEMBL3687517 0.74 ACACB (0.35) CPT2CPT1ACPT1B
SCHEMBL14069946 0.74 CPT2 (0.53) CPT2CPT1ACPT1B

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 CPT2 3/4885CPT1A 1/4885CPT1B 2/4885

“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.