SCHEMBL9259965

SCHEMBL9259965

CS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KCNJ1 P48048 3/20 0.55
KCNH2 Q12809 2/20 0.55
LOXL2 Q9Y4K0 1/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA12 O43570 4/20 0.48
CA4 P22748 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL28531315 0.85 TSHR (0.60) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL24541236 0.82 TSHR (0.53) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL11690780 0.82 PTGS2 (0.55) TSHRCA1CA2CA12CA4
SCHEMBL291237 0.81 TSHR (0.61) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL31540565 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL8898338 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL2233530 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL515031 0.81 LOXL2 (0.53) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL4186830 0.81 TSHR (0.51) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL3224219 0.81 CA1 (0.54) TSHRKCNJ1KCNH2LOXL2CA1

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
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0166155-B1 2-ALKYLSULPHONYL-1,4-DIAMINOBENZENES, PROCESS FOR THEIR PREPARATION AND OXIDATIVE HAIR-DYEING COMPOSITIONS CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 1987-09-23 EP disclosed
WO-1986000303-A1 TWO-ALKYL-SULPHONYL-1,4-DIAMINOBENZENES, PREPARATION THEREOF AND UTILISATION THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1986-01-16 WO disclosed
EP-0166155-A1 2-Alkylsulphonyl-1,4-diaminobenzenes, process for their preparation and oxidative hair-dyeing compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-01-02 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 (5 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-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 TSHR 611/4885KCNJ1 278/4885KCNH2 193/4885
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPA1 TSHR 879/4885KCNJ1 484/4885KCNH2 284/4885
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPA1, TRPV3 TSHR 927/4885KCNJ1 465/4885KCNH2 303/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 TSHR 3945/4885KCNJ1 1110/4885KCNH2 3331/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 TSHR 611/4885KCNJ1 278/4885KCNH2 193/4885

“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.