SCHEMBL10179501

SCHEMBL10179501

CCS(=O)(=O)c1cccc(C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.52
KAT6A Q92794 1/20 0.43
HDAC4 P56524 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CA2 P00918 2/20 0.43
HDAC2 Q92769 2/20 0.43
MDM4 O15151 1/20 0.43
CA1 P00915 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TYR P14679 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CA5A P35218 1/20 0.43
HTT P42858 1/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL21470932 0.87 KAT6A (0.40) PSIP1KAT6AHDAC4HDAC8KDM4E
SCHEMBL10179856 0.87 HDAC4 (0.53) PSIP1HDAC4HDAC8KDM4EALDH1A1
SCHEMBL16642002 0.87 PSIP1 (0.50) PSIP1HDAC4HDAC8ALDH1A1CA2
SCHEMBL18685337 0.85 PSIP1 (0.48) PSIP1HDAC4HDAC8CA2HDAC2
SCHEMBL17618327 0.85 KAT6A (0.41) KAT6AHDAC4HDAC8KDM4EALDH1A1
SCHEMBL18713904 0.84 KAT6A (0.39) PSIP1KAT6AHDAC4HDAC8KDM4E
SCHEMBL16775758 0.84 KAT6A (0.39) PSIP1KAT6AHDAC4HDAC8KDM4E
SCHEMBL16775759 0.84 KAT6A (0.39) PSIP1KAT6AHDAC4HDAC8KDM4E
SCHEMBL18713459 0.83 PSIP1 (0.50) PSIP1HDAC4HDAC8KDM4EALDH1A1
SCHEMBL19365225 0.82 CA2 (0.40) KAT6AHDAC4HDAC8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed
US-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 US disclosed
WO-2019198024-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-10-17 WO disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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 (8 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 PSIP1 2965/4885KAT6A 2584/4885HDAC4 1088/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 PSIP1 2349/4885KAT6A 1884/4885HDAC4 3345/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 PSIP1 2965/4885KAT6A 2584/4885HDAC4 1088/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 PSIP1 2425/4885KAT6A 19/4885HDAC4 22/4885
US-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 PSIP1 2614/4885KAT6A 34/4885HDAC4 36/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PSIP1 2614/4885KAT6A 34/4885HDAC4 36/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PSIP1 2614/4885KAT6A 34/4885HDAC4 36/4885
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 PSIP1 2635/4885KAT6A 382/4885HDAC4 725/4885

“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.