SCHEMBL2968699

SCHEMBL2968699

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 7/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL29489025 1.00 RAPGEF4 (0.38) RAPGEF4FFAR4MEN1KMT2AHDAC8
SCHEMBL28785424 0.87 F2 (0.37) RAPGEF4FFAR4MEN1KMT2AHDAC8
SCHEMBL5384451 0.87 RAPGEF4 (0.41) RAPGEF4FFAR4MEN1KMT2AF2
SCHEMBL3461956 0.84 RAPGEF4 (0.39) RAPGEF4MEN1KMT2AF2PRSS1
SCHEMBL1290843 0.83 RAPGEF4 (0.38) RAPGEF4FFAR4MEN1KMT2AF2
SCHEMBL5230082 0.83 RAPGEF4 (0.45) RAPGEF4MEN1KMT2AHDAC8F2
SCHEMBL5234362 0.82 LMNA (0.41) RAPGEF4FFAR4CA1CA2MMP1
SCHEMBL5232754 0.82 RAPGEF4 (0.41) RAPGEF4FFAR4F2PRSS1PRSS2
SCHEMBL1694111 0.82 RAPGEF4 (0.41) RAPGEF4FFAR4F2PRSS1PRSS2
SCHEMBL3541889 0.81 RAPGEF4 (0.48) RAPGEF4FFAR4MEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 — — US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 — — US disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 — — US disclosed
EP-4061809-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2022-09-28 — — EP disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — WO disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 — — US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 — — US disclosed
EP-0433854-B1 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents BOEHRINGER MANNHEIM GMBH (DE) 1997-06-18 — — EP disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 — — US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 — — US disclosed
EP-0433854-A2 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents Roche Diagnostics GmbH (DE) 1991-06-26 — — EP 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 RAPGEF4 3479/4885FFAR4 2975/4885MEN1 4328/4885
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A RAPGEF4 817/4885FFAR4 1428/4885MEN1 3345/4885
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B RAPGEF4 557/4885FFAR4 3368/4885MEN1 3547/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 RAPGEF4 3479/4885FFAR4 2975/4885MEN1 4328/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A RAPGEF4 817/4885FFAR4 1428/4885MEN1 3345/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A RAPGEF4 817/4885FFAR4 1428/4885MEN1 3345/4885

“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.

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