SCHEMBL3683204

SCHEMBL3683204

O=C(ON1C(=O)CCC1=O)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
SCN9A Q15858 4/20 0.46
EPHX2 P34913 3/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2J2 P51589 1/20 0.43
CNR2 P34972 1/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
DGAT1 O75907 1/20 0.41

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
SCHEMBL20474664 0.77 L3MBTL1 (0.70) L3MBTL1MAPTPOLBMAPK1SCN9A
SCHEMBL27076571 0.77 MAPK1 (0.38) L3MBTL1MAPTMAPK1EPHX2
SCHEMBL3688798 0.76 HRH3 (0.50) MAPTCYP2C9CYP2C19KCNH2
SCHEMBL458559 0.75 L3MBTL1 (1.00) L3MBTL1MAPTPOLBMAPK1SCN9A
SCHEMBL29488316 0.75 L3MBTL1 (1.00) L3MBTL1MAPTPOLBMAPK1SCN9A
SCHEMBL1445644 0.75 MAPK1 (0.40) L3MBTL1MAPK1
SCHEMBL30914672 0.75 MAPK1 (0.40) L3MBTL1MAPK1
SCHEMBL16938414 0.74 GABRP (0.49) L3MBTL1MAPK1EPHX2
SCHEMBL4758814 0.74 HDAC1 (0.45) L3MBTL1MAPTPOLBMAPK1
SCHEMBL23297258 0.74 CES2 (0.47) MAPTPOLBMAPK1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 2733/4885MAPT 581/4885POLB 1534/4885

“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.