SCHEMBL3219052

SCHEMBL3219052

CCOC(=O)C(=O)c1cscn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAP3K5 Q99683 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL22807230 0.84 KDM4E (0.39) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL21602152 0.83 KDM4E (0.44) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL243257 0.82 MAPT (0.50) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL21595222 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL8170672 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL4832474 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL4832463 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
SCHEMBL5269164 0.81 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAP3K5
Hydrochloric Acid SCHEMBL30101396 0.81 MAPT (0.53) KDM4EALDH1A1KMT2AMEN1MAP3K5
Hydrochloric Acid SCHEMBL27665004 0.81 MAPT (0.53) KDM4EALDH1A1KMT2AMEN1MAP3K5

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-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 US disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-9123895-B2 Photovoltaic cell with thiazole-containing polymer MERCK PATENT GMBH (DE) 2015-09-01 US disclosed
US-20140034129-A1 Photovoltaic Cell With Thiazole-Containing Polymer MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-8563678-B2 Photovoltaic cell with thiazole-containing polymer MERCK PATENT GMBH (DE) 2013-10-22 US disclosed
US-8008424-B2 for use as charge carriers; a cyclopentadithiazole copolymer KONARKA TECHNOLOGIES, INC. (US) 2011-08-30 US disclosed
US-8008424-B2 for use as charge carriers; a cyclopentadithiazole copolymer KONARKA TECHNOLOGIES, INC. (US) 2011-08-30 US disclosed
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed
WO-2008067023-A2 PHOTOVOLTAIC CELL WITH THIAZOLE-CONTAINING POLYMER KONARKA TECHNOLOGIES, INC. (US) 2008-06-05 WO disclosed
US-20080121281-A1 Photovoltaic Cell With Thiazole-Containing Polymer KONARKA TECHNOLOGIES, INC. (US) 2008-05-29 US disclosed
US-20080121281-A1 Photovoltaic Cell With Thiazole-Containing Polymer KONARKA TECHNOLOGIES, INC. (US) 2008-05-29 US disclosed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
EP-0039595-A1 Total synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid and related compounds ORTHO PHARMACEUTICAL CORPORATION (US) 1981-11-11 EP disclosed
US-4282220-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 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 (2 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-11267826-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL KDM4E 2087/4885ALDH1A1 2794/4885KMT2A 2536/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL KDM4E 2087/4885ALDH1A1 2794/4885KMT2A 2536/4885

“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.