Sugi Predict

Sugi Predict / Compounds / SCHEMBL4856528

SCHEMBL4856528

SCHEMBL4856528

CCCNCC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ MGAM O43451 1/20 0.54
▸ SI P14410 1/20 0.54
▸ MGAM2 Q2M2H8 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LTA4H P09960 4/20 0.45
▸ TRPA1 O75762 1/20 0.44
▸ CYP1A2 P05177 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPID Q08752 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PAOX Q6QHF9 1/20 0.38
▸ TSHR P16473 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
Hydrochloric Acid SCHEMBL5595603 0.98 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6074966 0.87 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL391332 0.85 GAA (0.65) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL285776 0.85 LTA4H (0.50) GAAMGAMSIMGAM2ALDH1A1
Bromide SCHEMBL29061339 0.85 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL837763 0.84 ALDH1A1 (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1632531 0.84 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27371682 0.84 LTA4H (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8865384 0.84 LTA4H (0.51) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22689618 0.84 LTA4H (0.51) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110820-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-04-06 — — EP disclosed
WO-2021241982-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 — — WO disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 — — EP disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 — — US disclosed
US-9250232-B2 Fluorescent probe THE UNIVERSITY OF TOKYO (JP) 2016-02-02 — — US disclosed
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 — — WO disclosed
US-20150212073-A1 FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2015-07-30 — — US disclosed
US-4600724-A ALDOSE REDUCTASE INHIBITOR, DIABETES AYERST, MCKENNA & HARRISON, INC. (CA) 1986-07-15 — — US disclosed
EP-0178759-A1 Alkynyl derivativesof pyrazolo-(3,4-b)-pyridine lactams ICI AMERICAS INC. (US) 1986-04-23 — — EP disclosed
US-4568693-A ANTIDIATBETIC AGENTS AYERST, MCKENNA & HARRISON, INC. (CA) 1986-02-04 — — US disclosed
US-4563525-A Process for preparing pyrazolopyridine compounds ICI AMERICAS INC. (US) 1986-01-07 — — US disclosed
US-4511568-A CNS-Depressant pyrazolopyridines ICI AMERICAS INC. (US) 1985-04-16 — — US disclosed
EP-0118138-A1 ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-12 — — EP disclosed
US-4439617-A TREATING DIABETES, ENZYME INHIBITOR AYERST, MCKENNA & HARRISON INC. (CA) 1984-03-27 — — US disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 — — US disclosed
EP-0094175-A1 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-11-16 — — EP disclosed
US-4413005-A 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-11-01 — — 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 (4 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-20150212073-A1 FLUORESCENT PROBE SSTR3, SSTR1, SSTR5 GAA 2074/4885MGAM 2504/4885SI 1662/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GAA 2717/4885MGAM 4636/4885SI 4393/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS GAA 2400/4885MGAM 3119/4885SI 1655/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GAA 2717/4885MGAM 4636/4885SI 4393/4885

“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.