SCHEMBL692344

SCHEMBL692344

COC(=O)COCC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.42
CES2 O00748 1/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.34
TET2 Q6N021 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL13230898 0.90 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL1335833 0.89 TSHR (0.56) MGAMGAASIMGAM2TSHR
SCHEMBL137776 0.83
SCHEMBL14002488 0.83 MGAM (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL14002496 0.83 CES2 (0.52) MGAMGAASIMGAM2TSHR
Ethylene Glycol SCHEMBL9359829 0.81 TSHR (0.48) MGAMGAASIMGAM2TSHR
Ethylene Glycol SCHEMBL9359880 0.81 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL7889399 0.80 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL29866183 0.80 CES2 (0.50) MGAMGAASIMGAM2TSHR
Water SCHEMBL10891347 0.80 CES2 (0.50) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-20200216439-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-09 US disclosed
US-9827249-B2 Use of condensed benzo[B]thiazine derivatives as cytoprotectants ARANDA PHARMA LTD (FI) 2017-11-28 US disclosed
WO-2017102649-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
US-20160220689-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES STARPHARMA PTY LTD. (AU) 2016-08-04 US disclosed
US-20160106754-A1 USE OF CONDENSED BENZO[B]THIAZINE DERIVATIVES AS CYTOPROTECTANTS ARANDA PHARMA LTD (FI) 2016-04-21 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
EP-2421872-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
US-20110281828-A1 SUBSTITUTED OXAZOLIDINONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2011-11-17 US disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
US-7759357-B2 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2010-07-20 US disclosed
US-7759357-B2 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2010-07-20 US disclosed
EP-1474146-B1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 2008-08-27 EP disclosed
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2007-12-06 US disclosed
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2007-12-06 US disclosed
US-4672057-A ANTITUMOR AGENTS; TAA ANTIBIOTICS FARMITALIA CARLO ERBA S.P.A. (IT) 1987-06-09 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 (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-20160106754-A1 USE OF CONDENSED BENZO[B]THIAZINE DERIVATIVES AS CYTOPROTECTANTS TXN2, GPX4, NQO1 MGAM 4557/4885GAA 1653/4885SI 1043/4885
US-20200216439-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES CYP2D6, CYP1B1, CYP3A4 MGAM 2389/4885GAA 1183/4885SI 1164/4885
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 MGAM 3197/4885GAA 1233/4885SI 2801/4885
US-20110281828-A1 SUBSTITUTED OXAZOLIDINONE DERIVATIVES GSK3B, GSK3A, XDH MGAM 2647/4885GAA 1991/4885SI 707/4885
US-20160220689-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES CD44, FOLR1, FOLH1 MGAM 1373/4885GAA 1359/4885SI 1628/4885
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors FCER2, SELP, FCGR2A MGAM 2968/4885GAA 2341/4885SI 4295/4885

“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.