SCHEMBL4886988

SCHEMBL4886988

CC(=O)Nc1nc(CCC(=O)O)cs1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
KMT2A Q03164 1/20 0.65
AOC3 Q16853 13/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAOB P27338 3/20 0.54
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL3936758 0.89 AOC3 (0.74) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL4886677 0.87 AOC3 (0.57) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL5550194 0.87 AOC3 (0.68) SMN1; SMN2KMT2AAOC3NPC1RAB9A
SCHEMBL4890267 0.85 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL6386471 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL9570944 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL2788439 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL6296847 0.84 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL9834676 0.83 SMN1; SMN2 (0.77) SMN1; SMN2KMT2AAOC3L3MBTL1NPC1
SCHEMBL6741143 0.82 AOC3 (0.46) SMN1; SMN2KMT2AAOC3NPC1RAB9A

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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA SMN1; SMN2 2277/4885KMT2A 4199/4885AOC3 163/4885

“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.