Sugi Predict

Sugi Predict / Compounds / SCHEMBL3225481

SCHEMBL3225481

SCHEMBL3225481

CC(=O)Nc1cc(/C=C/C(=O)O)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.58
▸ AKR1C2 P52895 4/20 0.58
▸ PTPN11 Q06124 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ ITGB2 P05107 1/20 0.47
▸ ICAM1 P05362 1/20 0.47
▸ ITGAL P20701 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA3 P07451 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47
▸ PKM P14618 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
SCHEMBL3225479 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTPN11ALDH1A1ITGB2
SCHEMBL10430548 0.88 AKR1C3 (0.61) AKR1C3AKR1C2PTPN11ALDH1A1ITGB2
SCHEMBL21892378 0.87 ALDH1A1 (0.49) AKR1C3AKR1C2PTPN11ALDH1A1KDM4E
SCHEMBL13604782 0.83 KDM4E (0.60) AKR1C3AKR1C2ALDH1A1KDM4ECA12
SCHEMBL7213473 0.83 AKR1C3 (0.59) AKR1C3AKR1C2PTPN11ALDH1A1KDM4E
SCHEMBL6329912 0.83 AKR1C3 (0.59) AKR1C3AKR1C2PTPN11ALDH1A1KDM4E
SCHEMBL1527577 0.81 KDM4E (0.44) AKR1C3AKR1C2PTPN11ALDH1A1ITGB2
SCHEMBL1527578 0.81 KDM4E (0.44) AKR1C3AKR1C2PTPN11ALDH1A1ITGB2
SCHEMBL9649413 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECA1CA2CA9
SCHEMBL30707812 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 — — US disclosed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 — — US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 — — EP disclosed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 — — US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 — — US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 — — US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 — — US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 — — US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 — — US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 — — US disclosed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 — — EP disclosed
EP-1841761-A4 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2008-10-29 — — EP disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 — — US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 — — US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 — — US disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — WO disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 — — WO disclosed
EP-1841761-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2007-10-10 — — EP disclosed
WO-2006080591-A1 FUMAGILLOL DERIVATIVES OR METHOD FOR PREPARATION OF FUMAGILLOL DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2006-08-03 — — WO disclosed
EP-0482939-A1 Isoquinolinone derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1992-04-29 — — 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 (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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT AKR1C3 3117/4885AKR1C2 3169/4885PTPN11 1601/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT AKR1C3 3117/4885AKR1C2 3169/4885PTPN11 1601/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT AKR1C3 3117/4885AKR1C2 3169/4885PTPN11 1601/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT AKR1C3 3117/4885AKR1C2 3169/4885PTPN11 1601/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT AKR1C3 3117/4885AKR1C2 3169/4885PTPN11 1601/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA AKR1C3 1773/4885AKR1C2 1285/4885PTPN11 3892/4885

“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.