SCHEMBL3683291

SCHEMBL3683291

CN(CCCCc1ccccc1)S(=O)(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.39
RAB9A P51151 1/20 0.39
CRAT P43155 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL3692201 0.81 CPT2 (0.54) CRAT
SCHEMBL14823008 0.79 MMP3 (0.41) MMP3SIGMAR1MMP2ALOX5
SCHEMBL3685020 0.77 CPT2 (0.46)
SCHEMBL3679655 0.77 CPT2 (0.63)
SCHEMBL3679522 0.76 CPT2 (0.46) ALOX5
SCHEMBL3683292 0.75 KMT2A (0.45) MMP3RAB9AMMP1MMP2PDE4A
SCHEMBL3683295 0.75 KMT2A (0.45) MMP3RAB9AMMP1MMP2PDE4A
SCHEMBL1118074 0.74 CPT2 (0.65) CRATHDAC1HDAC2ALOX5
SCHEMBL1117834 0.74 CPT2 (0.65) CRATHDAC1HDAC2ALOX5
SCHEMBL1117981 0.74 CPT2 (0.65) CRATHDAC1HDAC2ALOX5

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 2 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

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 MMP3 958/4885RAB9A 3687/4885CRAT 5/4885

“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.