SCHEMBL486841

SCHEMBL486841

C[S@@](=N)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
PSIP1 O75475 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
PLA2G7 Q13093 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL486787 1.00 HTR6 (0.52) HTR6PSIP1CA1CA2ALDH1A1
SCHEMBL486856 1.00 HTR6 (0.52) HTR6PSIP1CA1CA2ALDH1A1
SCHEMBL22116923 0.97 HTR6 (0.50) HTR6PSIP1CA1CA2ALDH1A1
Methylphenylsulfone SCHEMBL1332357 0.77 PTGS2 (0.62) HTR6PSIP1CA1CA2ALDH1A1
SCHEMBL2285511 0.77 HTR6 (0.58) HTR6PSIP1CA1CA2ALDH1A1
Methylphenylsulfone SCHEMBL78253 0.77 PTGS2 (0.62) HTR6PSIP1CA1CA2ALDH1A1
SCHEMBL488382 0.76 GAA (0.59) CA1CA2ALDH1A1TDP1CA12
(Phenylsulfonyl)Benzene SCHEMBL10870153 0.74 HTR6 (0.82) HTR6PSIP1CA1CA2ALDH1A1
Methylphenylsulfone SCHEMBL5499087 0.74 PTGS2 (0.60) HTR6PSIP1CA1CA2ALDH1A1
SCHEMBL23145865 0.74 ENPP2 (0.41) CA1CA2CA12CA3CA6

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-12503446-B2 Bromodomain inhibitors Forschungszentrum Jülich GmbH (DE) 2025-12-23 US disclosed
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-20220372004-A1 BROMODOMAIN INHIBITORS Forschungszentrum Jülich GmbH (DE) 2022-11-24 US disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
WO-2021135938-A1 HETEROCYCLIC SULFOXIMINE COMPOUND AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 南京创济生物医药有限公司 2021-07-08 WO disclosed
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2021-07-08 US disclosed
WO-2021083879-A1 BROMODOMAIN INHIBITORS RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2021-05-06 WO disclosed
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
EP-2152672-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-17 EP disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 US disclosed
WO-2008141843-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-27 WO disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO disclosed
US-20060217353-A1 24-sulfoximine vitamin D3 compounds CYTOCHROMA INC. (CA) 2006-09-28 US disclosed
US-7101865-B2 24-sulfoximine vitamin D3 compounds CYTOCHROMA INC. (CA) 2006-09-05 US disclosed
EP-1511725-A1 24-SULFOXIMINE VITAMIN D sb 3 /sb COMPOUNDS Johns Hopkins University (US) 2005-03-09 EP disclosed
US-20040038949-A1 24-sulfoximine vitamin D3 compounds JOHNS HOPKINS UNIVERSITY 2004-02-26 US disclosed
WO-2003106411-A1 24-SULFOXIMINE VITAMIN D3 COMPOUNDS JOHNS HOPKINS UNIVERSITY (US) 2003-12-24 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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 HTR6 2827/4885PSIP1 867/4885CA1 4821/4885
US-20040038949-A1 24-sulfoximine vitamin D3 compounds CYP24A1, CYP2R1, CYP27B1 HTR6 3037/4885PSIP1 1611/4885CA1 3379/4885
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 HTR6 2827/4885PSIP1 867/4885CA1 4821/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 HTR6 2827/4885PSIP1 867/4885CA1 4821/4885
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MAP4K2, MAP3K20, MAP3K2 HTR6 1886/4885PSIP1 3383/4885CA1 4102/4885
US-20060217353-A1 24-sulfoximine vitamin D3 compounds CYP24A1, CYP2R1, CYP27B1 HTR6 2945/4885PSIP1 1472/4885CA1 3533/4885
US-20220372004-A1 BROMODOMAIN INHIBITORS BRDT, BRD4, BRPF3 HTR6 3390/4885PSIP1 3259/4885CA1 4251/4885
US-12503446-B2 Bromodomain inhibitors BRDT, BRD4, BRPF3 HTR6 3390/4885PSIP1 3259/4885CA1 4251/4885

“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.