SCHEMBL3679935

SCHEMBL3679935

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(-c2ccno2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.33
MAPT P10636 7/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
MMP13 P45452 1/20 0.30

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
SCHEMBL13409940 0.85 HPGD (0.35) PRF1MAPTTP53POLBMEN1
Trifluoroacetic Acid SCHEMBL3679938 0.85 PRF1 (0.34) PRF1MAPTTP53POLBMEN1
Trifluoroacetic Acid SCHEMBL3679932 0.85 PRF1 (0.34) PRF1MAPTTP53POLBMEN1
SCHEMBL3683117 0.85 RXFP1 (0.45) MMP13
SCHEMBL3685116 0.80 RAB9A (0.50) MAPTPOLBMEN1KMT2AGAA
SCHEMBL3689889 0.78 ALDH1A1 (0.34) MAPTPOLBMEN1KMT2APSEN1
SCHEMBL3684588 0.77 HTT (0.33) MAPTMEN1KMT2APSEN1PSEN2
SCHEMBL3690768 0.75 MMP2 (0.47) MMP13MMP2MMP9
SCHEMBL3682807 0.75 MMP2 (0.36) MMP2MMP9
SCHEMBL3683027 0.75 MMP9 (0.51) MMP13MMP2MMP9

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 PRF1 3750/4885MAPT 581/4885TP53 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.