SCHEMBL3690768

SCHEMBL3690768

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)NS(=O)(=O)c1ccc(C#Cc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.47
MMP3 P08254 5/20 0.47
MMP13 P45452 2/20 0.47
MMP9 P14780 18/20 0.46
MMP1 P03956 4/20 0.39
MMP8 P22894 3/20 0.39
MMP14 P50281 3/20 0.39
MMP25 Q9NPA2 3/20 0.39

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
SCHEMBL3683027 0.92 MMP9 (0.51) MMP2MMP3MMP13MMP9MMP1
SCHEMBL3677505 0.91 MMP9 (0.40) MMP2MMP3MMP13MMP9MMP1
SCHEMBL3679728 0.87 MMP9 (0.53) MMP2MMP3MMP13MMP9MMP1
Trifluoroacetic Acid SCHEMBL3690765 0.86 MMP2 (0.47) MMP2MMP3MMP13MMP9MMP1
Trifluoroacetic Acid SCHEMBL3690770 0.86 MMP2 (0.47) MMP2MMP3MMP13MMP9MMP1
SCHEMBL13409993 0.85 MMP2 (0.52) MMP2MMP3MMP13MMP9MMP1
Iodide SCHEMBL3683383 0.83 MMP2 (0.51) MMP2MMP3MMP13MMP9MMP1
Iodide SCHEMBL3683387 0.83 MMP2 (0.51) MMP2MMP3MMP13MMP9MMP1
SCHEMBL3689889 0.81 ALDH1A1 (0.34) MMP2MMP3MMP13MMP9MMP1
Trifluoroacetic Acid SCHEMBL3683028 0.80 MMP9 (0.55) MMP2MMP3MMP13MMP9MMP1

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 MMP2 961/4885MMP3 958/4885MMP13 1256/4885

“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.