SCHEMBL3942963

SCHEMBL3942963

CC(=O)Nc1nc(-c2ccc(CCC(=O)O)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.67
ABL1 P00519 6/20 0.64
KMT2A Q03164 6/20 0.60
RAB9A P51151 5/20 0.60
MEN1 O00255 5/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 5/20 0.56
MAPK1 P28482 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.56
PKM P14618 2/20 0.56
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GFER P55789 1/20 0.53

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
SCHEMBL3943224 0.86 AOC3 (0.60) AOC3ABL1KMT2ARAB9AMEN1
SCHEMBL6242808 0.86 AOC3 (0.72) AOC3ABL1KMT2ARAB9AMEN1
Hydrochloric Acid SCHEMBL3941639 0.85 AOC3 (0.67) AOC3ABL1KMT2ARAB9AMEN1
SCHEMBL4987302 0.85 AOC3 (0.65) AOC3ABL1KMT2ARAB9AMEN1
Hydrochloric Acid SCHEMBL4864960 0.85 AOC3 (0.73) AOC3ABL1KMT2ARAB9AMEN1
SCHEMBL2093712 0.84 ABL1 (0.70) AOC3ABL1KMT2ARAB9AMEN1
SCHEMBL28759631 0.84 ABL1 (0.70) AOC3ABL1KMT2ARAB9AMEN1
SCHEMBL3933917 0.84 AOC3 (0.69) AOC3ABL1KMT2ARAB9AMEN1
SCHEMBL3936758 0.83 AOC3 (0.74) AOC3KMT2ARAB9ANPC1SMN1; SMN2
Carbamic Acid SCHEMBL4871763 0.83 AOC3 (0.69) AOC3ABL1KMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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 (2 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 AOC3 163/4885ABL1 4601/4885KMT2A 4199/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885ABL1 4439/4885KMT2A 4562/4885

“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.