SCHEMBL3685328

SCHEMBL3685328

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)NC(=O)c1ccc(C#Cc2ccsc2)o1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DDR1 Q08345 1/20 0.31
DDR2 Q16832 1/20 0.31

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 SCHEMBL3685331 0.85 KDM4E (0.32) ACACBKDM4EALDH1A1LMNAL3MBTL1
Trifluoroacetic Acid SCHEMBL3685324 0.85 KDM4E (0.32) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL13410034 0.85 KDM4E (0.37) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3688358 0.84 CRAT (0.40) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3688363 0.84 CRAT (0.40) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3682524 0.83 ACACB (0.35) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3687517 0.83 ACACB (0.35) ACACBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3679969 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3688863 0.81 NPC1 (0.31) ALDH1A1
SCHEMBL3685222 0.79 CPT2 (0.33)

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 ACACB 50/4885KDM4E 1405/4885ALDH1A1 236/4885

“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.