SCHEMBL19699592

SCHEMBL19699592

CC(C)C(=O)Nc1cccc(OCCO)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.52
XIAP P98170 2/20 0.43
BIRC2 Q13490 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
SCN9A Q15858 3/20 0.40
TSHR P16473 1/20 0.40
FAAH O00519 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TYK2 P29597 1/20 0.38
KIF18A Q8NI77 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20733204 0.93 MAPK8 (0.51) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19699555 0.88 MAPK8 (0.55) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19699551 0.85 MAPK8 (0.49) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19706708 0.84 MAPK8 (0.48) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19706717 0.84 MAPK8 (0.73) MAPK8SMN1; SMN2ADORA3ADORA1ADORA2A
SCHEMBL19699549 0.83 MAPK8 (0.49) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19699584 0.83 MAPK8 (0.49) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19699554 0.82 MAPK8 (0.48) MAPK8XIAPBIRC2SMN1; SMN2ADORA3
SCHEMBL19699607 0.81 ADORA3 (0.40) MAPK8SMN1; SMN2ADORA3ADORA1ADORA2A
SCHEMBL2249375 0.78 MAPK8 (0.50) MAPK8SCN9ANPC1RAB9AKIF18A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885XIAP 3088/4885BIRC2 3799/4885

“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.