Sugi Predict

Sugi Predict / Compounds / SCHEMBL3700972

SCHEMBL3700972

SCHEMBL3700972

O=C(c1cccs1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.72
▸ HPGD P15428 2/20 0.64
▸ ALDH1A1 P00352 6/20 0.60
▸ ALOX12 P18054 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HPGDS O60760 1/20 0.56

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
SCHEMBL11293119 0.87 GAA (0.85) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL2666138 0.84 GAA (1.00) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL28618917 0.83 ALDH1A1 (0.55) GAAHPGDALDH1A1ALOX12MAPT
SCHEMBL14134416 0.82 GAA (0.96) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL19357175 0.81 PHGDH (0.59) GAAHPGDALDH1A1ALOX12MAPT
SCHEMBL10280045 0.81 GAA (0.74) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL642316 0.79 GAA (0.72) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL844816 0.79 GAA (0.72) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL10979081 0.79 GAA (0.72) GAAALDH1A1ALOX12MAPTKMT2A
SCHEMBL12184245 0.79 GAA (0.72) GAAALDH1A1ALOX12MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11679531-B2 Chemical mechanical polishing pad and preparation thereof ROHM AND HAAS ELECTRONIC MATERIALS CMP HOLDINGS, INC. (US) 2023-06-20 — — US disclosed
US-20230112598-A1 CHEMICAL MECHANICAL POLISHING PAD AND PREPARATION THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-04-13 — — US disclosed
US-20230112228-A1 CHEMICAL MECHANICAL POLISHING PAD AND PREPARATION THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-04-13 — — US disclosed
CN-110179777-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-07-15 — — CN disclosed
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 — — US disclosed
EP-3427728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2021-07-07 — — EP disclosed
EP-3277505-B1 POLYMERIC GRAVURE PRINTING FORM AND PROCESS FOR PREPARING THE SAME WITH CURABLE COMPOSITION HAVING A MULTIFUNCTIONAL URETHANE DUPONT ELECTRONICS INC (US) 2020-06-24 — — EP disclosed
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2020-05-28 — — US disclosed
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-02-04 — — US disclosed
CN-110179777-A Medical composition comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2019-08-30 — — CN disclosed
EP-2945621-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2015-11-25 — — EP disclosed
WO-2014113700-A9 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-10-09 — — WO disclosed
WO-2014113700-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-24 — — WO disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 — — US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 — — US disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 — — WO disclosed
US-4873340-A Process for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo[1,2-A]pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-10-10 — — US disclosed
EP-0053021-B1 PROCESS FOR 5-AROYLATION OF 1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBOXYLIC ESTERS AND NITRILES SYNTEX (U.S.A.) INC. (US) 1985-05-02 — — EP disclosed
US-4353829-A AROYL MORPHOLIDE REAGENT SYNTEX (U.S.A.) INC. (US) 1982-10-12 — — US disclosed
EP-0053021-A2 Process for 5-aroylation of 1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1-carboxylic esters and nitriles SYNTEX (U.S.A.) INC. (US) 1982-06-02 — — EP 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-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 GAA 1775/4885HPGD 24/4885ALDH1A1 954/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 GAA 1775/4885HPGD 24/4885ALDH1A1 954/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885HPGD 4163/4885ALDH1A1 2075/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 GAA 1775/4885HPGD 24/4885ALDH1A1 954/4885

“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.