Sugi Predict

Sugi Predict / Compounds / SCHEMBL19699549

SCHEMBL19699549

SCHEMBL19699549

CC(C)C(=O)Nc1cccc(OC[C@H](O)CO)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.49
▸ XIAP P98170 2/20 0.41
▸ BIRC2 Q13490 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KIF18A Q8NI77 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ LMNA P02545 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
SCHEMBL19699584 1.00 MAPK8 (0.49) MAPK8XIAPBIRC2SMN1; SMN2CYP1A2
SCHEMBL19706514 0.87 MAPK8 (0.66) MAPK8SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL19706515 0.87 MAPK8 (0.66) MAPK8SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL19699592 0.83 MAPK8 (0.52) MAPK8XIAPBIRC2SMN1; SMN2TSHR
SCHEMBL19699574 0.82 MAPT (0.37) MAPK8MAPK1TSHRCYP2C19ALDH1A1
SCHEMBL19699576 0.82 MAPT (0.37) MAPK8MAPK1TSHRCYP2C19ALDH1A1
SCHEMBL20733204 0.82 MAPK8 (0.51) MAPK8XIAPBIRC2SMN1; SMN2TSHR
SCHEMBL17655417 0.81 CYP1A2 (0.44) MAPK8SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL19728690 0.81 ALDH1A1 (0.37) MAPK8SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL19699564 0.81 ALDH1A1 (0.37) MAPK8SMN1; SMN2CYP1A2MAPK1TSHR

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 4 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-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 MAPK8 1686/4885XIAP 3088/4885BIRC2 3799/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885XIAP 3083/4885BIRC2 3839/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885XIAP 3083/4885BIRC2 3839/4885

“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.