SCHEMBL1092103

SCHEMBL1092103

Cc1c(Br)ccc2c1NC(=O)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.62
ALDH1A1 P00352 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
DAO P14920 2/20 0.52
BCHE P06276 2/20 0.44
NSD2 O96028 2/20 0.43
LIG1 P18858 1/20 0.40
TGM2 P21980 3/20 0.39
CASP3 P42574 1/20 0.36
CASP2 P42575 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
TDP2 O95551 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL2892415 0.80 CES1 (0.67) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL2373643 0.77 CES1 (0.47) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL16647187 0.77 CES1 (0.67) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL29689346 0.77 CES1 (0.62) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL3085898 0.77 CES1 (0.62) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL951629 0.77 CES1 (1.00) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL3096093 0.77 DAO (0.56) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL16108402 0.77 CES1 (0.45) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL30498292 0.77 CES1 (0.45) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL21777132 0.74 HPGD (0.39) CES1ALDH1A1ALDH2ALDH3A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511607-A 2007-05-10 JP claimed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP claimed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO claimed
US-12404250-B2 PARP inhibitors for treating cancer and asthma OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-09-02 US disclosed
US-20240409518-A1 PARP INHIBITORS FOR TREATING CANCER AND ASTHMA OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-12-12 US disclosed
WO-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
US-12030858-B2 PARP inhibitors for treating cancer and asthma OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-12030858-B2 PARP inhibitors for treating cancer and asthma OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-12030858-B2 PARP inhibitors for treating cancer and asthma OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2024-05-02 US disclosed
EP-3843726-B1 PARP INHIBITORS FOR TREATING CANCER AND ASTHMA UNIV OREGON HEALTH & SCIENCE (US) 2024-02-28 EP disclosed
EP-1931205-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-18 EP disclosed
US-20080044401-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-02-21 US disclosed
US-7265093-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-04 US disclosed
WO-2007025247-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-03-01 WO disclosed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP disclosed
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-03-09 US disclosed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO disclosed
US-20040167069-A1 Drug therapy for Celiac Sprue NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-08-26 US disclosed
US-6586447-B1 3,3-disubstituted-oxindole derivatives useful as anticancer agents PFIZER INC 2003-07-01 US 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 (7 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-20080044401-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 CES1 688/4885ALDH1A1 3795/4885ALDH2 4343/4885
US-12404250-B2 PARP inhibitors for treating cancer and asthma PARP1, PARP2, PARP11 CES1 2754/4885ALDH1A1 748/4885ALDH2 796/4885
US-12030858-B2 PARP inhibitors for treating cancer and asthma PARP1, PARP2, PARP11 CES1 2754/4885ALDH1A1 748/4885ALDH2 796/4885
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF KRAS, NRAS, G3BP1 CES1 2649/4885ALDH1A1 3389/4885ALDH2 4286/4885
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer MGMT, GMFG, HNMT CES1 346/4885ALDH1A1 1608/4885ALDH2 1634/4885
US-20040167069-A1 Drug therapy for Celiac Sprue SI, DNPEP, SPINT2 CES1 688/4885ALDH1A1 3795/4885ALDH2 4343/4885
US-20240409518-A1 PARP INHIBITORS FOR TREATING CANCER AND ASTHMA PARP1, PARP2, PARP11 CES1 2754/4885ALDH1A1 748/4885ALDH2 796/4885

“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.