SCHEMBL3681769

SCHEMBL3681769

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)NC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 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 SCHEMBL3681762 0.87 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3681765 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
Trifluoroacetic Acid SCHEMBL3681770 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL13409971 0.85 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL3682672 0.78 FAAH (0.36) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3688863 0.77 NPC1 (0.31) ALDH1A1KMT2AMEN1POLB
SCHEMBL3680573 0.75 CPT2 (0.46)
SCHEMBL14822999 0.74 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2TP53KMT2AMEN1
SCHEMBL3679511 0.72 CTSG (0.42)
SCHEMBL3685328 0.71 ACACB (0.33) ALDH1A1LMNA

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 ALDH1A1 236/4885SMN1; SMN2 1205/4885TP53 1289/4885

“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.