Sugi Predict

Sugi Predict / Compounds / SCHEMBL1587530

SCHEMBL1587530

SCHEMBL1587530

CCOC(=O)/C(=C\N(C)C)C(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.44
▸ GLO1 Q04760 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ IDE P14735 1/20 0.35
▸ TNNI3 P19429 1/20 0.35
▸ TNNT2 P45379 1/20 0.35
▸ TNNC1 P63316 1/20 0.35

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
SCHEMBL5901707 1.00 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1587531 1.00 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL5599122 0.89 CYP2C9 (0.41) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL5599127 0.89 CYP2C9 (0.41) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL13672504 0.86 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3589914 0.86 CYP2C9 (0.46) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL13556621 0.85 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL30546605 0.85 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL26124702 0.85 CYP2C9 (0.45) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL3230226 0.85 CYP2C9 (0.58) CYP2C9NPSR1GLO1ALDH1A1CYP2D6

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-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 — — US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 — — US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 — — US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 — — US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 — — US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 — — US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 — — US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 — — US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 — — US disclosed
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2013-10-31 — — US disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — WO disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 — — US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 — — US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 — — EP disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 — — EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 — — EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 — — WO disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 — — 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 (6 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 CYP2C9 853/4885NPSR1 948/4885GLO1 4138/4885
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A CYP2C9 673/4885NPSR1 1077/4885GLO1 658/4885
US-20130289025-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CYP2C9 775/4885NPSR1 93/4885GLO1 4413/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 CYP2C9 96/4885NPSR1 1075/4885GLO1 4295/4885
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A CYP2C9 673/4885NPSR1 1077/4885GLO1 658/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CYP2C9 775/4885NPSR1 93/4885GLO1 4413/4885

“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.