SCHEMBL3682807

SCHEMBL3682807

CCCCCc1ccc(CCc2ccc(S(=O)(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
FAAH O00519 1/20 0.34
AKT1 P31749 6/20 0.34
GAB1 Q13480 4/20 0.34
IRS1 P35568 3/20 0.34
MMP1 P03956 3/20 0.32
MMP3 P08254 3/20 0.32
MMP8 P22894 3/20 0.32
MMP14 P50281 3/20 0.32
MMP25 Q9NPA2 3/20 0.32

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 0.91 HTT (0.33)
SCHEMBL3689889 0.90 ALDH1A1 (0.34) MMP2MMP9MMP1MMP3MMP8
SCHEMBL3691243 0.87 FAAH (0.40) FAAHAKT1GAB1IRS1
SCHEMBL3679728 0.86 MMP9 (0.53) MMP2MMP9MMP1MMP3MMP8
SCHEMBL3690902 0.86 FAAH (0.41) FAAHAKT1GAB1IRS1
Trifluoroacetic Acid SCHEMBL3682804 0.86 MMP2 (0.40) MMP2MMP9FAAHAKT1GAB1
Trifluoroacetic Acid SCHEMBL3682809 0.86 MMP2 (0.40) MMP2MMP9FAAHAKT1GAB1
SCHEMBL13410002 0.85 S1PR1 (0.42) MMP2MMP9AKT1GAB1IRS1
SCHEMBL3679526 0.84 ALDH1A1 (0.34)
SCHEMBL3683184 0.83 FAAH (0.35) FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO claimed
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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO 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 961/4885MMP9 1084/4885FAAH 917/4885

“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.