Sugi Predict

Sugi Predict / Compounds / SCHEMBL19699574

SCHEMBL19699574

SCHEMBL19699574

CC(C)C(=O)Nc1cncc(OC[C@H](O)CO)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ GSK3B P49841 6/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33

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
SCHEMBL19699576 1.00 MAPT (0.37) MAPTGSK3BALDH1A1ADORA3ADORA2A
SCHEMBL19699495 0.90 PRKD3 (0.37) MAPTGSK3BALDH1A1ADORA3ADORA2A
SCHEMBL19699493 0.90 PRKD3 (0.37) MAPTGSK3BALDH1A1ADORA3ADORA2A
SCHEMBL19706533 0.87 MAPK8 (0.42) MAPTADORA3ADORA2AADORA1PRKD3
SCHEMBL19706537 0.87 MAPK8 (0.42) MAPTADORA3ADORA2AADORA1PRKD3
SCHEMBL19699607 0.83 ADORA3 (0.40) MAPTGSK3BALDH1A1ADORA3ADORA2A
SCHEMBL19699474 0.82 MAPK8 (0.46) MAPTALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL19699549 0.82 MAPK8 (0.49) MAPTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19699584 0.82 MAPK8 (0.49) MAPTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19699568 0.82 ALDH1A1 (0.39) MAPTGSK3BALDH1A1PRKD3MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-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
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 (3 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 MAPT 306/4885GSK3B 2322/4885ALDH1A1 993/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 290/4885GSK3B 2340/4885ALDH1A1 1067/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 290/4885GSK3B 2340/4885ALDH1A1 1067/4885

“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.