SCHEMBL13409999

SCHEMBL13409999

Cc1ccc(CCc2ccc(S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 1/20 0.38
MMP9 P14780 3/20 0.36
MMP2 P08253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AKR1C3 P42330 1/20 0.34
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL3684585 0.93 ITGB3 (0.38) SMN1; SMN2HTTLMNAMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL3684591 0.93 ITGB3 (0.38) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL13409995 0.92 ALDH1A1 (0.39) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL13410002 0.89 S1PR1 (0.42) ALDH1A1MMP9MMP2
SCHEMBL14823024 0.88 NR3C1 (0.40) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL13409991 0.88 AKR1C3 (0.39) SMN1; SMN2HTTLMNAMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL3689890 0.84 EEF2K (0.35) SMN1; SMN2HTTLMNAMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL3689887 0.84 EEF2K (0.35) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL3684588 0.84 HTT (0.33) SMN1; SMN2HTTLMNAMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL3682804 0.83 MMP2 (0.40) MMP9MMP2

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 SMN1; SMN2 1205/4885HTT 1592/4885LMNA 2918/4885

“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.