SCHEMBL3683845

SCHEMBL3683845

CN(C)CC(CC(=O)O)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
STIM1 Q13586 2/20 0.42
ORAI1 Q96D31 2/20 0.42
TNFRSF1A P19438 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
SCHEMBL14822946 0.90 RAB9A (0.57) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL13409982 0.88 RAB9A (0.55) RAB9ANPC1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL3685117 0.84 RAB9A (0.51) RAB9ANPC1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL3685112 0.84 RAB9A (0.51) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL3685116 0.77 RAB9A (0.50) RAB9ANPC1HDAC3HDAC4HDAC1
Iodide SCHEMBL3683564 0.76 RAB9A (0.47) RAB9ANPC1HDAC3HDAC4HDAC1
Iodide SCHEMBL3683563 0.76 RAB9A (0.47) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL3686054 0.75 PFKFB3 (0.48) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1594386 0.74 RAB9A (0.73) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL2633816 0.74 RAB9A (0.77) RAB9ANPC1HDAC3HDAC4HDAC1

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 RAB9A 3687/4885NPC1 70/4885HDAC3 103/4885

“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.