SCHEMBL3689889

SCHEMBL3689889

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(CCc2ccccc2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
MMP7 P09237 2/20 0.33
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
MMP8 P22894 2/20 0.31
MMP14 P50281 2/20 0.31

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
SCHEMBL3684588 0.92 HTT (0.33) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3679526 0.91 ALDH1A1 (0.34) ALDH1A1MAPTLMNAPOLBKMT2A
SCHEMBL3682807 0.90 MMP2 (0.36) MMP2MMP9MMP8MMP14MMP1
Trifluoroacetic Acid SCHEMBL3689887 0.85 EEF2K (0.35) ALDH1A1MMP7MMP2MMP9HDAC4
Trifluoroacetic Acid SCHEMBL3689890 0.85 EEF2K (0.35) ALDH1A1MMP7MMP2MMP9HDAC4
SCHEMBL13409995 0.85 ALDH1A1 (0.39) ALDH1A1MMP7MMP2MMP9MAPT
SCHEMBL3690768 0.81 MMP2 (0.47) MMP2MMP9MMP8MMP14MMP13
SCHEMBL3683117 0.80 RXFP1 (0.45) ALDH1A1MMP13
Trifluoroacetic Acid SCHEMBL3684591 0.79 ITGB3 (0.38) ALDH1A1MMP2MMP9MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3684585 0.79 ITGB3 (0.38) ALDH1A1MMP2MMP9MAPTSMN1; SMN2

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 ALDH1A1 236/4885CTSG 2515/4885CTRB1 1053/4885

“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.