SCHEMBL3679728

SCHEMBL3679728

CCCCCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.53
MMP2 P08253 19/20 0.53
MMP3 P08254 9/20 0.49
MMP1 P03956 8/20 0.49
MMP8 P22894 8/20 0.49
MMP14 P50281 8/20 0.49
MMP25 Q9NPA2 7/20 0.49
MMP13 P45452 2/20 0.44

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 0.88 MMP9 (0.51) MMP9MMP2MMP3MMP1MMP8
Trifluoroacetic Acid SCHEMBL3679726 0.88 MMP9 (0.57) MMP9MMP2MMP3MMP1MMP8
Trifluoroacetic Acid SCHEMBL3679731 0.88 MMP9 (0.57) MMP9MMP2MMP3MMP1MMP8
SCHEMBL3690768 0.87 MMP2 (0.47) MMP9MMP2MMP3MMP1MMP8
SCHEMBL3682807 0.86 MMP2 (0.36) MMP9MMP2MMP3MMP1MMP8
SCHEMBL13410001 0.86 MMP9 (0.63) MMP9MMP2MMP3MMP1MMP8
SCHEMBL3683488 0.84 MMP2 (0.38) MMP9MMP2MMP3MMP1MMP8
Iodide SCHEMBL3680757 0.84 MMP2 (0.57) MMP9MMP2MMP3MMP1MMP8
Iodide SCHEMBL3680762 0.84 MMP2 (0.57) MMP9MMP2MMP3MMP1MMP8
SCHEMBL3691243 0.83 FAAH (0.40)

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 MMP9 1084/4885MMP2 961/4885MMP3 958/4885

“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.