Sugi Predict

Sugi Predict / Compounds / SCHEMBL925757

SCHEMBL925757

SCHEMBL925757

Cc1ccc(S(=O)(=O)N2C=CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45

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
SCHEMBL1933332 0.90 PKM (0.53) PKMALDH1A1HTTPOLBMEN1
SCHEMBL15624090 0.88 PKM (0.53) PKMALDH1A1HTTPOLBMEN1
SCHEMBL10742021 0.81 CYP2C9 (0.48) PKMALDH1A1POLBMEN1KMT2A
SCHEMBL20390807 0.81 PKM (0.60) PKMALDH1A1HTTGAATSHR
SCHEMBL30774759 0.78 ALDH1A1 (0.49) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL13536909 0.78 PKM (0.70) PKMALDH1A1HTTPOLBMEN1
SCHEMBL7613212 0.78 SERPINE1 (0.42) PKMALDH1A1MEN1KMT2AGAA
SCHEMBL4537090 0.77 PKM (0.59) PKMALDH1A1HTTPOLBMEN1
SCHEMBL27519797 0.76 PKM (0.58) PKMALDH1A1HTTPOLBMEN1
SCHEMBL3317094 0.75 PKM (0.57) PKMALDH1A1HTTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965915-B1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS RAPP POLYMERE GMBH (DE) 2014-08-13 — — EP disclosed
US-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Raap Polymere GmbH (DE) 2011-01-13 — — US disclosed
US-7781586-B2 Metathesis catalysts HOFFMAN-LA ROCHE INC. (US) 2010-08-24 — — US disclosed
EP-2044095-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2009-08-26 — — EP disclosed
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 — — US disclosed
EP-1965915-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Rapp Polymere GmbH (DE) 2008-09-10 — — EP disclosed
US-7381741-B2 In which the amino is substituted by arylmethyl- or heteroarylmethyl- group, e.g., 2-Methoxybenzyl)-(2-phenylpyrrolidin-3-yl)-amine and 5-{[2-(3-Chloro-phenyl)-pyrrolidin-3-ylamino]-methyl}-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-3-aza-cyclopropa[a]naphalen-2-one; neurokinin 1 (Substance P) inhititors PFIZER INC (US) 2008-06-03 — — US disclosed
US-20080021219-A1 Metathesis Catalysts HOFFMANN-LA ROCHE INC. 2008-01-24 — — US disclosed
WO-2007065907-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS RAPP POLYMERE GMBH (DE) 2007-06-14 — — WO disclosed
EP-1753718-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES Pfizer Products Incorporated (US) 2007-02-21 — — EP disclosed
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 — — US disclosed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 — — WO disclosed
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 — — US disclosed
EP-0946176-B1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 2002-03-27 — — EP disclosed
US-6133260-A Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic acid and naphthyridon carboxylic acid derivatives for the treatment of Helicobacter pylori infections and associated gastroduodenal diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-10-17 — — US disclosed
EP-0946176-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 1999-10-06 — — EP disclosed
WO-1998026779-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO[4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 — — 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-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS SCO2, SOD1, PPIF PKM 1053/4885ALDH1A1 1241/4885HTT 3064/4885
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 PKM 157/4885ALDH1A1 1280/4885HTT 3977/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 PKM 157/4885ALDH1A1 1280/4885HTT 3977/4885
US-20080021219-A1 Metathesis Catalysts MTX1, MTX2, MLX PKM 3517/4885ALDH1A1 2087/4885HTT 4468/4885

“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.