SCHEMBL5241671

SCHEMBL5241671

CC(=O)Oc1cccc(C=O)c1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.57
▸ TLR2 O60603 1/20 0.51
▸ ERN1 O75460 1/20 0.51
▸ TLR1 Q15399 1/20 0.51
▸ TLR6 Q9Y2C9 1/20 0.51
▸ FNTA P49354 1/20 0.51
▸ FNTB P49356 1/20 0.51
▸ SRC P12931 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ BLM P54132 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 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
SCHEMBL807200 0.90 TLR2 (0.62) MAPK1TLR2ERN1TLR1TLR6
SCHEMBL6553840 0.85 ALDH1A1 (0.58) MAPK1TLR2ERN1TLR1TLR6
SCHEMBL20764578 0.85 TLR2 (0.45) MAPK1TLR2ERN1TLR1TLR6
SCHEMBL870959 0.85 ALDH1A1 (0.55) MAPK1TLR2ERN1TLR1TLR6
SCHEMBL28504593 0.84 ALDH1A1 (0.53) MAPK1TLR2ERN1TLR1TLR6
SCHEMBL8830664 0.84 MAPK1 (0.56) MAPK1FNTAFNTBPTPN1ALDH1A1
SCHEMBL2918517 0.84 MAPK1 (0.56) MAPK1FNTAFNTBPTPN1ALDH1A1
SCHEMBL3864807 0.84 ERN1 (0.68) MAPK1TLR2ERN1TLR1TLR6
Benzene SCHEMBL3155472 0.83 ALDH1A1 (0.58) MAPK1TLR2ERN1TLR1TLR6
SCHEMBL18196707 0.83 MAPK1 (0.44) MAPK1TLR2ERN1TLR1TLR6

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
US-12060362-B2 Inhibitors of glucose transporters (GLUTs) LEAD DISCOVERY CENTER GMBH (DE) 2024-08-13 — — US disclosed
EP-3814359-B1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTS) LEAD DISCOVERY CENTER GMBH (DE) 2022-08-17 — — EP disclosed
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-07-01 — — US disclosed
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-07-01 — — US disclosed
EP-3814359-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTS) Lead Discovery Center GmbH (DE) 2021-05-05 — — EP disclosed
US-20190352691-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-11-21 — — US disclosed
US-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — US disclosed
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 — — US disclosed
US-20070225499-A1 Process for the Preparation of 2,2-Disubstituted Pyrroles MERCK & CO., INC. 2007-09-27 — — US disclosed
EP-1740537-A2 A PROCESS FOR THE PREPARATION OF 2,2-DISUBSTITUTED PYRROLES Merck & Co., Inc. (US) 2007-01-10 — — EP disclosed
WO-2005102996-A2 A PROCESS FOR THE PREPARATION OF 2,2-DISUBSTITUTED PYRROLES MERCK & CO., INC. (US) 2005-11-03 — — WO disclosed
CN-1210166-C Thermal transfer recording system having amorphous dye phase POLAROID CORP (US) 2005-07-13 — — CN disclosed
EP-0975597-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-02-02 — — EP disclosed
WO-1998045269-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-10-15 — — WO disclosed
EP-0357089-B1 Novel cephem compound as an antimicrobial agent and its preparation MEJI SEIKA K K (JP) 1996-03-06 — — EP disclosed
US-5061702-A CEPHEM COMPOUND AS AN ANTIMICROBIAL AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-29 — — US disclosed
EP-0357089-A2 Novel cephem compound as an antimicrobial agent and its preparation MEJI SEIKA K.K. (JP) 1990-03-07 — — 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-12060362-B2 Inhibitors of glucose transporters (GLUTs) SLC2A1, SLC2A3, SLC2A4 MAPK1 657/4885TLR2 603/4885ERN1 4420/4885
US-20070225499-A1 Process for the Preparation of 2,2-Disubstituted Pyrroles KIF5B, KIF5A, KIF5C MAPK1 1221/4885TLR2 4865/4885ERN1 3136/4885
US-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 MAPK1 4512/4885TLR2 1387/4885ERN1 3729/4885
US-20210198269-A1 INHIBITORS OF GLUCOSE TRANSPORTERS (GLUTs) SLC2A1, SLC2A3, SLC2A4 MAPK1 734/4885TLR2 517/4885ERN1 4584/4885

“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.

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