SCHEMBL2802756

SCHEMBL2802756

O=S(=O)(Cl)c1csc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 2/20 0.37
PLK1 P53350 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PHGDH O43175 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 2/20 0.33
C1S P09871 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KIF11 P52732 1/20 0.32

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
SCHEMBL3059985 0.84 HTR6 (0.45) HTR6BCL2BCL2L1NPSR1MAPT
SCHEMBL1742823 0.84 HTR6 (0.47) HTR6BCL2BCL2L1NPSR1MAPT
SCHEMBL8231682 0.81 HTR6 (0.51) HTR6BCL2BCL2L1NPSR1MAPT
SCHEMBL27744859 0.71 CA1 (0.42) HTR6NPSR1MAPTPLK1PIM1
SCHEMBL9911846 0.70 PLK1 (0.39) HTR6NPSR1MAPTPLK1ALDH1A1
SCHEMBL1742671 0.68 TRPV4 (0.38) KMT2ATRPV4MEN1LMNA
SCHEMBL9910779 0.67 PLK1 (0.36) HTR6NPSR1MAPTPLK1ALDH1A1
SCHEMBL4648187 0.66 PTPN1 (0.44) KMT2ATRPV4KIF11MEN1
SCHEMBL6520579 0.66 ALDH1A1 (0.35) NPSR1MAPTHSD17B10ALDH1A1TDP1
SCHEMBL29500393 0.64 MEN1 (0.56) ALDH1A1KMT2ATRPV4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438298-B N-hydroxysulfonamide derivatives as physiologically valuable nitroxyl donors 约翰斯霍普金斯大学 2021-10-08 CN claimed
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-11-10 US claimed
US-20200087253-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2020-03-19 US claimed
CN-104926804-B One kind has compound, the preparation method and use of antitumor action 天津渤海职业技术学院 2019-01-25 CN disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 EP disclosed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-01-07 US disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
CN-104945311-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2015-09-30 CN disclosed
CN-104926804-A Compounds with anti-tumor effect, and preparation method and application of compounds Tianjin Bohai Vocational Technical College 2015-09-23 CN disclosed
CN-102282128-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 2011-12-14 CN disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US disclosed
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009129370-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (US) 2009-10-22 WO disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 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 (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-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 HTR6 339/4885BCL2 909/4885BCL2L1 1259/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885BCL2 1579/4885BCL2L1 1188/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA HTR6 1988/4885BCL2 684/4885BCL2L1 387/4885
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTR6 3702/4885BCL2 1/4885BCL2L1 4/4885
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HTR6 3664/4885BCL2 1/4885BCL2L1 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885BCL2 1579/4885BCL2L1 1188/4885
US-20200087253-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 HTR6 339/4885BCL2 909/4885BCL2L1 1259/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885BCL2 1579/4885BCL2L1 1188/4885

“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.