SCHEMBL3685351

SCHEMBL3685351

O=C(ON1C(=O)CCC1=O)c1ccc(C#Cc2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
GRM5 P41594 11/20 0.34
ALOX12 P18054 1/20 0.33
PARL Q9H300 1/20 0.33
FFAR1 O14842 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP13 P45452 1/20 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
SCHEMBL3683635 0.78 GRM5 (0.44) MGLLGRM5ALOX12PARLFFAR1
SCHEMBL3678194 0.75 MAPK1 (0.45) MGLLGRM5ALOX12FFAR1
SCHEMBL3685299 0.74 MGLL (0.34) MGLLPARLNPC1RAB9A
SCHEMBL4407685 0.74 RAB9A (0.44) FFAR1NPC1RAB9A
SCHEMBL3680690 0.72 CES2 (0.47) NPC1RAB9A
SCHEMBL982584 0.72 KDM4E (0.61) MGLLFFAR1
SCHEMBL7082765 0.71 L3MBTL1 (0.57) GRM5FFAR1NPC1RAB9AMMP2
SCHEMBL19309377 0.69 KMT2A (0.53) MGLLALOX12PARLNPC1RAB9A
SCHEMBL133554 0.69 KMT2A (0.53) MGLLALOX12PARLNPC1RAB9A
SCHEMBL3685296 0.68 ALDH1A1 (0.52) NPC1RAB9A

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 MGLL 410/4885GRM5 3284/4885ALOX12 720/4885

“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.