Sugi Predict

Sugi Predict / Compounds / SCHEMBL19699559

SCHEMBL19699559

SCHEMBL19699559

CC(C)C(=O)Nc1ccc(OC[C@@H](O)CO)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL19699547 1.00 ALDH1A1 (0.50) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL19706701 0.86 PTK2 (0.48) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL19706513 0.86 PTK2 (0.48) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL19699611 0.82 TSHR (0.39) ALDH1A1LMNAMAPTRAB9ACYP2C19
SCHEMBL19699602 0.82 TSHR (0.39) ALDH1A1LMNAMAPTRAB9ACYP2C19
SCHEMBL9813337 0.81 ADORA3 (0.42) ALDH1A1LMNAMAPTCYP2C19ALOX15
SCHEMBL19699543 0.81 RIOK2 (0.46) MAPTMAPK1TSHR
SCHEMBL19699541 0.81 RIOK2 (0.46) MAPTMAPK1TSHR
SCHEMBL19699567 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL19699568 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAPTRAB9ANPC1

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 ALDH1A1 993/4885LMNA 3510/4885MAPT 306/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885LMNA 3512/4885MAPT 290/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885LMNA 3512/4885MAPT 290/4885

“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.