SCHEMBL1987227

SCHEMBL1987227

CCOCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.58
PPARG P37231 5/20 0.55
CTSS P25774 7/20 0.50
CTSK P43235 7/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ACE P12821 1/20 0.44
PPARD Q03181 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CAPN1 P07384 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL954493 1.00 PPARA (0.58) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL4845923 1.00 PPARA (0.58) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL21837472 0.87 PPARA (0.55) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL21837471 0.87 PPARA (0.55) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL24633954 0.87 PPARA (0.55) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL16170321 0.87 CYP1A2 (0.47) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL14842431 0.85 CYP1A2 (0.49) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL14842430 0.85 CYP1A2 (0.49) PPARAPPARGCTSSCTSKCYP1A2
SCHEMBL25892128 0.85 PPARA (0.56) PPARAPPARGCTSSCTSKCTSL
SCHEMBL13897471 0.85 PPARA (0.56) PPARAPPARGCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163962-A1 3-((1,1-DIOXIDO-2,3,4,5-TETRAHYDROBENZO[F][1,2,5]THIADIAZEPIN-8-YL)OXY)-2-FLUOROACRYLIC ACID DERIVATIVES AS SODIUM TAUROCHOLATE CO-TRANSPORTING POLYPEPTIDE (NTCP) INHIBITORS FOR THE TREATMENT OF CHOLESTASIS Hemoshear Therapeutics, Inc. (US) 2024-08-08 WO disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
EP-4326724-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2024-02-28 EP disclosed
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 CN disclosed
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2022224180-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-10-27 WO disclosed
US-20220306634-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA SAN DIEGO, INC. 2022-09-29 US disclosed
EP-3825316-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2021-05-26 EP disclosed
EP-3489236-B1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICALS CO (JP) 2020-09-30 EP disclosed
CN-102753548-A Fused heteroaromatic pyrrolidones as SYK inhibitors TAKAEDA CHEMICAL IND LTD 2012-10-24 CN disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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 (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-20220306634-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN PPARA 2060/4885PPARG 1437/4885CTSS 1771/4885
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN PPARA 2060/4885PPARG 1437/4885CTSS 1771/4885
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 PPARA 3210/4885PPARG 3822/4885CTSS 380/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 PPARA 4634/4885PPARG 4344/4885CTSS 2756/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B PPARA 661/4885PPARG 659/4885CTSS 3301/4885
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN PPARA 2060/4885PPARG 1437/4885CTSS 1771/4885

“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.