SCHEMBL2171106

SCHEMBL2171106

Cc1cccc2sc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
PAX8 Q06710 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL31733296 1.00 MAPT (0.47) MAPTATMGAAMAPK1THRB
SCHEMBL23113073 0.86 PAX8 (0.40) MAPTATMGAAMAPK1THRB
SCHEMBL31733218 0.85 PAX8 (0.39) MAPTATMGAAMAPK1THRB
SCHEMBL23112951 0.85 PAX8 (0.39) MAPTATMGAAMAPK1THRB
SCHEMBL31005213 0.84 TP53 (0.39) MAPTGAATHRBRAB9AALDH1A1
SCHEMBL1557348 0.84 PAX8 (0.38) MAPTATMGAAMAPK1THRB
SCHEMBL31733034 0.84 PAX8 (0.38) MAPTATMGAAMAPK1THRB
SCHEMBL31733024 0.83 CYP1A2 (0.41) MAPTATMGAAMAPK1THRB
SCHEMBL31733187 0.81 BACE1 (0.36) MAPTATMGAAMAPK1THRB
SCHEMBL23673260 0.80 PAX8 (0.38) MAPTATMGAAMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
US-9682996-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2017-06-20 US disclosed
EP-3139918-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-15 EP disclosed
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS Prism BioLab Co., Ltd. (JP) 2015-12-31 US disclosed
WO-2015171474-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 WO disclosed
US-9126981-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2015-09-08 US disclosed
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS PRISM BIOLAB CORPORATION (JP) 2014-08-07 US disclosed
US-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2011-10-27 US disclosed
EP-2346871-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BioLab Corporation (JP) 2011-07-27 EP disclosed
WO-2010044485-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2010-04-22 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-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD MAPT 2095/4885ATM 3659/4885GAA 13/4885
US-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER COL1A1, HDGF, HCCS MAPT 2160/4885ATM 1834/4885GAA 338/4885
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 MAPT 2270/4885ATM 1636/4885GAA 1822/4885
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 MAPT 2270/4885ATM 1636/4885GAA 1822/4885

“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.