Sugi Predict

Sugi Predict / Compounds / SCHEMBL4993768

SCHEMBL4993768

SCHEMBL4993768

CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(N=CNC(=O)O)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PLEC Q15149 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MAOB P27338 10/20 0.45
▸ MAOA P21397 2/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5605698 0.83 PKM (0.44) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL5972792 0.81 PKM (0.48) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL668004 0.81 PKM (0.44) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL5972797 0.81 PKM (0.47) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL10005110 0.80 PKM (0.41) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL10005112 0.80 PKM (0.41) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL5605671 0.79 ESR1 (0.45) PKMKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4314299 0.77 PTPRC (0.49) PKMMAOBMRGPRX4SMN1; SMN2PTPRC
Hydrochloric Acid SCHEMBL8000443 0.76 MAOB (0.59) MAOBSMN1; SMN2
Hydrochloric Acid SCHEMBL6334189 0.76 F2 (0.48) PKMMAOBMRGPRX4SMN1; SMN2PTPRC

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220165-B2 Inhalator and capsule for an inhalator BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 — — US disclosed
EP-2875020-B1 PROCESS FOR THE PREPARATION OF A FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE BOEHRINGER INGELHEIM INT (DE) 2017-09-06 — — EP disclosed
EP-2875020-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS MEDICAMENT AND THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2015-05-27 — — EP disclosed
US-8906931-B1 9-[4-(3-chloro-2-fluoro-phenylamino-7-methoxy-quinazoline-6-yloxy]-1,4-diaza-spiro[5.5]undecane-5-one dimaleate, use thereof as a medicament and method for the production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 — — US disclosed
US-8772298-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-20140182587-A1 INHALATOR AND CAPSULE FOR AN INHALATOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-03 — — US disclosed
WO-2014012859-A1 FUMARIC ACID SALT OF 9-[4-(3-CHLORO-2-FLUORO-PHENYLAMINO)-7-METHOXY- CHINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE, ITS USE AS MEDICAMENT AND THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-23 — — WO disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 — — US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 — — US disclosed
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist PFIZER INC. 2008-10-23 — — US disclosed
EP-1773396-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION AND PAIN USING A COMBINATION OF A COX-2 SELECTIVE INHIBITOR AND A LTB4 RECEPTOR ANTAGONIST Pharmacia Corporation (US) 2007-04-18 — — EP disclosed
WO-2006011048-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION AND PAIN USING A COMBINATION OF A COX-2 SELECTIVE INHIBITOR AND A LTB4 RECEPTOR ANTAGONIST PHARMACIA CORPORATION (US) 2006-02-02 — — 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 (3 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-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 PKM 87/4885KDM4E 4667/4885ALDH1A1 1307/4885
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 PKM 87/4885KDM4E 4667/4885ALDH1A1 1307/4885
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist LTB4R2, LTB4R, LTC4S PKM 3239/4885KDM4E 3930/4885ALDH1A1 1495/4885

“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.