SCHEMBL19699554

SCHEMBL19699554

CC(C)C(=O)Nc1cccc(OCC(C)(C)CO)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
XIAP P98170 2/20 0.40
BIRC2 Q13490 2/20 0.40
NUDT1 P36639 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL19706522 0.86 MAPK8 (0.66) MAPK8SMN1; SMN2NUDT1LMNANPC1
SCHEMBL19699583 0.82 NUDT1 (0.39) MAPK8SMN1; SMN2NUDT1ALDH1A1LMNA
SCHEMBL19699592 0.82 MAPK8 (0.52) MAPK8SMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL19699551 0.81 MAPK8 (0.49) MAPK8SMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL20733204 0.81 MAPK8 (0.51) MAPK8SMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL19699606 0.80 MAPT (0.39) MAPK8SMN1; SMN2NUDT1ALDH1A1LMNA
SCHEMBL19706708 0.80 MAPK8 (0.48) MAPK8SMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL19699549 0.79 MAPK8 (0.49) MAPK8SMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL19699584 0.79 MAPK8 (0.49) MAPK8SMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL19699555 0.78 MAPK8 (0.55) MAPK8SMN1; SMN2XIAPBIRC2LMNA

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885SMN1; SMN2 2016/4885XIAP 3088/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885SMN1; SMN2 1917/4885XIAP 3083/4885

“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.