SCHEMBL3676461

SCHEMBL3676461

CN(C)CC(CC(=O)O)NS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL13409917 0.83 MAPT (0.46) SMN1; SMN2TP53MAPTLMNAHTT
SCHEMBL3688503 0.78 MMP2 (0.52) MMP2MMP9
SCHEMBL3686054 0.78 PFKFB3 (0.48) MAPTMEN1KMT2AALDH1A1MMP2
SCHEMBL3691573 0.77 MMP9 (0.61) MMP2MMP9
SCHEMBL1348037 0.75 HPGD (0.50) SMN1; SMN2MAPK1MAPTLMNAHTT
SCHEMBL3678177 0.74 MMP9 (0.48) MMP2MMP9
SCHEMBL4869319 0.74 SLC1A3 (0.48) ALDH1A1MMP2MMP9
SCHEMBL4869315 0.74 SLC1A3 (0.48) ALDH1A1MMP2MMP9
SCHEMBL3676623 0.72 MMP9 (0.63) MMP2MMP9
SCHEMBL3683845 0.72 RAB9A (0.54) MAPTLMNAMEN1KMT2AALDH1A1

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 3 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
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 SMN1; SMN2 1205/4885MAPK1 2587/4885TP53 1289/4885

“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.