SCHEMBL442816

SCHEMBL442816

CS(=O)(=O)c1cc[c]cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
CCR2 P41597 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL27952384 0.85 HSD11B1 (0.33) HSD11B1CCR2LMNAL3MBTL1
SCHEMBL6199512 0.82 L3MBTL1 (0.33) L3MBTL1
SCHEMBL1448807 0.78 L3MBTL1 (0.44) L3MBTL1
SCHEMBL4359857 0.78 TSHR (0.31)
SCHEMBL3807203 0.78 CA2 (0.41) LMNAL3MBTL1
SCHEMBL5449834 0.78 ALDH1A1 (0.44) LMNA
SCHEMBL1448415 0.77 CCR2 (0.33) CCR2L3MBTL1PTGS2
SCHEMBL2903043 0.77 L3MBTL1 (0.38) L3MBTL1
SCHEMBL3716259 0.74 SMN1; SMN2 (0.46) HSD11B1L3MBTL1PTGS2
SCHEMBL17290879 0.74 HTR6 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US claimed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP claimed
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2014-03-06 US claimed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO claimed
WO-2012145361-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2012-10-26 WO claimed
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 CN disclosed
US-10723704-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
EP-3243515-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-10-16 EP disclosed
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-10292973-B2 Covalent irreversible inhibitors of USP7 as anti-cancer agents PROGENRA, INC. (US) 2019-05-21 US disclosed
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2018-11-08 US disclosed
WO-2018160944-A1 AZOLE COMPOUNDS AS UBIQUITIN-SPECIFIC PROTEASE USP7 INHIBITORS PROGENRA, INC. (US) 2018-09-07 WO disclosed
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 US disclosed
US-8084623-B2 heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents ROCHE PALO ALTO LLC (US) 2011-12-27 US disclosed
EP-2354124-A2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2011-08-10 EP disclosed
EP-2102157-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-5756275-A IMPROVED IMAGE WHEN USING COUPLER HAVING SUBSTITUENT AT ACTIVE POSITION FUJI PHOTO FILM CO., LTD. (JP) 1998-05-26 US disclosed
CN-1030682-C Method for preparating N-aryl-3-aryl-4.5-dihydro-IH-pyrazole-l-carboxamides ROHM AND HASS CORP (US) 1996-01-17 CN 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 (7 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-10723704-B2 Pyrazolone derivatives as nitroxyl donors TNNI3, PFKP, NOX5 HSD11B1 935/4885CCR2 3268/4885LMNA 2480/4885
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR HSD11B1 970/4885CCR2 494/4885LMNA 1012/4885
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO HSD11B1 710/4885CCR2 3599/4885LMNA 3649/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR HSD11B1 970/4885CCR2 494/4885LMNA 1012/4885
US-20180318308-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 HSD11B1 935/4885CCR2 3268/4885LMNA 2480/4885
US-10292973-B2 Covalent irreversible inhibitors of USP7 as anti-cancer agents USP7, USP2, USP28 HSD11B1 4307/4885CCR2 3011/4885LMNA 4515/4885
US-20140066369-A1 Modulators Of The GPR119 Receptor And The Treatment Of Disorders Related Thereto GPR119, GLP1R, SLC5A2 HSD11B1 1332/4885CCR2 800/4885LMNA 4157/4885

“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.