SCHEMBL4987302

SCHEMBL4987302

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.65
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 2/20 0.64
POLB P06746 1/20 0.64
ABL1 P00519 6/20 0.61
ROCK2 O75116 2/20 0.60
ROCK1 Q13464 2/20 0.60
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GFER P55789 1/20 0.51

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
SCHEMBL4871757 0.87 AOC3 (0.61) AOC3KMT2AMEN1RAB9ANPC1
SCHEMBL14019488 0.87 AOC3 (0.67) AOC3KMT2AMEN1RAB9ANPC1
SCHEMBL3943224 0.86 AOC3 (0.60) AOC3KMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL4866950 0.86 AOC3 (0.68) AOC3KMT2AMEN1RAB9ANPC1
Carbamic Acid SCHEMBL4871763 0.86 AOC3 (0.69) AOC3KMT2AMEN1RAB9ANPC1
SCHEMBL6441306 0.85 AOC3 (0.54) AOC3KMT2AMEN1RAB9ANPC1
SCHEMBL3942963 0.85 AOC3 (0.67) AOC3KMT2AMEN1RAB9ANPC1
SCHEMBL27626640 0.84 AOC3 (0.58) AOC3KMT2AMEN1RAB9ANPC1
SCHEMBL4871898 0.84 AOC3 (0.71) AOC3KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6242808 0.84 AOC3 (0.72) AOC3KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US 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 (4 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885KMT2A 4255/4885MEN1 3711/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885KMT2A 3324/4885MEN1 3836/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KMT2A 4395/4885MEN1 2478/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885KMT2A 4570/4885MEN1 3241/4885

“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.