Sugi Predict

Sugi Predict / Compounds / SCHEMBL2332007

SCHEMBL2332007

SCHEMBL2332007

COC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ NPC1 O15118 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ CYP3A4 P08684 2/20 0.70
▸ ATM Q13315 1/20 0.70
▸ ESR1 P03372 1/20 0.69
▸ SHBG P04278 1/20 0.69
▸ ESR2 Q92731 1/20 0.69
▸ MAPT P10636 3/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ TP53 P04637 3/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ LMNA P02545 4/20 0.62
▸ ALOX12 P18054 2/20 0.62
▸ HTT P42858 1/20 0.62

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
SCHEMBL2331935 0.89 NPC1 (0.71) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL2334043 0.86 LMNA (0.69) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL30503014 0.83 ESR1 (1.00) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL312243 0.83 ESR1 (1.00) HPGDALDH1A1NPC1MEN1KMT2A
Ononetin SCHEMBL2948430 0.82 NPC1 (1.00) HPGDALDH1A1NPC1MEN1KMT2A
Ononetin SCHEMBL30203900 0.82 NPC1 (1.00) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL2328880 0.82 ALDH1A1 (0.63) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL2334134 0.82 MAPT (0.63) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL2331960 0.82 ESR1 (0.78) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL14156906 0.82 CA1 (0.69) HPGDALDH1A1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108264506-B Isoflavone derivative, preparation method and medical application thereof 中国药科大学 2021-01-26 — — CN disclosed
CN-108264506-A Novel isoflavone derivative, preparation method and medical usage 中国药科大学 2018-07-10 — — CN disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 — — US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 — — US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 — — US disclosed
CN-105541777-A Isoflavone amide type derivative, preparation method and medical application thereof UNIV CHINA PHARMA 2016-05-04 — — CN disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 — — US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 — — US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 — — US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 — — US disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 — — US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
EP-2533637-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 — — US disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 — — US disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 — — US disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — WO disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — 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 (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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HPGD 98/4885ALDH1A1 363/4885NPC1 2790/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HPGD 98/4885ALDH1A1 363/4885NPC1 2790/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HPGD 98/4885ALDH1A1 363/4885NPC1 2790/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 HPGD 98/4885ALDH1A1 363/4885NPC1 2790/4885

“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.