SCHEMBL1763294

SCHEMBL1763294

CC(=O)c1ccc(OBOc2ccc(C(C)=O)s2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TSHR P16473 1/20 0.46
GSK3B P49841 1/20 0.44
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
PRNP P04156 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL17446874 0.86 LMNA (0.44) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL1372083 0.81 NPSR1 (0.51) LMNATSHRMAPTL3MBTL1ALDH1A1
SCHEMBL2145369 0.79 LMNA (0.48) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL20033482 0.78 LMNA (0.44) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL11450476 0.78 LMNA (0.47) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL14997447 0.76 LMNA (0.46) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL3411329 0.76 LMNA (0.46) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL2872059 0.75 GSK3B (0.67) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL13665361 0.74 LMNA (0.44) LMNATSHRGSK3BMAPTL3MBTL1
SCHEMBL5239670 0.74 LMNA (0.44) LMNATSHRGSK3BMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760854-B1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER ASANA BIOSCIENCES LLC (US) 2017-08-30 EP disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-9199975-B2 Biaryl imidazole derivatives for regulating CYP17 ASANA BIOSCIENCES, LLC (US) 2015-12-01 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 US disclosed
EP-2760854-A1 IMIDAZOLE DERIVATIVES AS CYP17 INHIBITORS FOR THE TREATMENT OF CANCER Endo Pharmaceuticals Inc. (US) 2014-08-06 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed
EP-1549313-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-07-06 EP disclosed
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2005-04-28 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 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 (10 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-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 LMNA 4747/4885TSHR 4796/4885GSK3B 2069/4885
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 LMNA 4412/4885TSHR 828/4885GSK3B 2439/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 LMNA 4765/4885TSHR 4605/4885GSK3B 2895/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA LMNA 4744/4885TSHR 4799/4885GSK3B 1713/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP LMNA 4581/4885TSHR 4728/4885GSK3B 2282/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 LMNA 4721/4885TSHR 4407/4885GSK3B 1995/4885
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 LMNA 4747/4885TSHR 4796/4885GSK3B 2069/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 LMNA 4765/4885TSHR 4605/4885GSK3B 2895/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP LMNA 4574/4885TSHR 4744/4885GSK3B 2671/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 LMNA 4754/4885TSHR 4827/4885GSK3B 1544/4885

“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.