Sugi Predict

Sugi Predict / Compounds / SCHEMBL1161802

SCHEMBL1161802

SCHEMBL1161802

COc1ccc(NC(C)=O)c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.56
▸ HSD17B1 P14061 1/20 0.54
▸ HSD17B2 P37059 1/20 0.54
▸ TRIM24 O15164 1/20 0.51
▸ TYR P14679 1/20 0.51
▸ TRIM33 Q9UPN9 1/20 0.51
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL29951677 1.00 ERN1 (0.56) ERN1HSD17B1HSD17B2TRIM24TYR
SCHEMBL9768767 0.87 TRIM24 (0.56) ERN1HSD17B1HSD17B2TRIM24TYR
SCHEMBL17980719 0.87 ERN1 (0.56) ERN1TRIM24TYRTRIM33LMNA
SCHEMBL12472034 0.82 SMN1; SMN2 (0.52) ERN1LMNAALDH1A1MAPTMEN1
SCHEMBL18024095 0.81 ALDH1A1 (0.54) ERN1TRIM24TYRTRIM33HTT
SCHEMBL29954247 0.81 ERN1 (0.49) ERN1TRIM24TYRTRIM33TSHR
SCHEMBL28504582 0.80 ERN1 (0.58) ERN1TRIM24TYRTRIM33LMNA
SCHEMBL8887292 0.79 ALDH1A1 (0.59) ERN1TSHRALDH1A1KMT2AKDM4E
SCHEMBL23117837 0.79 CES2 (0.49) ERN1TRIM24TYRTRIM33HTT
SCHEMBL1289713 0.79 ALDH1A1 (0.49) ERN1TRIM24TYRTRIM33LMNA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-05-17 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-9827258-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-11-28 — — US disclosed
US-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2014-10-16 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 — — EP disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 — — WO disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 — — WO 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 (5 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-20140309190-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ERN1 426/4885HSD17B1 1908/4885HSD17B2 1917/4885
US-20180133233-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ERN1 426/4885HSD17B1 1908/4885HSD17B2 1917/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ERN1 258/4885HSD17B1 2712/4885HSD17B2 3047/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ERN1 426/4885HSD17B1 1908/4885HSD17B2 1917/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 ERN1 258/4885HSD17B1 2712/4885HSD17B2 3047/4885

“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.