SCHEMBL949226

SCHEMBL949226

COS(=O)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35
PARP1 P09874 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
MAOB P27338 1/20 0.34
IDO1 P14902 3/20 0.33
AGXT P21549 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30364383 0.79 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTGAAPARP1
SCHEMBL25149388 0.79 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTGAAPARP1
SCHEMBL19139964 0.78 ACHE (0.44) ALDH1A1MAPK1PARP1IDO1TSHR
SCHEMBL20048758 0.77 L3MBTL1 (0.37) ALDH1A1MAPK1MAPTGAACYP1A2
SCHEMBL21691220 0.76 CYP1A2 (0.39) ALDH1A1MAPTCYP1A2PARP1TSHR
SCHEMBL20048853 0.76 CYP1A2 (0.39) ALDH1A1MAPTCYP1A2PARP1TSHR
SCHEMBL15367593 0.74 CYP2A6 (0.38) ALDH1A1MAPK1MAPTNPSR1NPC1
SCHEMBL30306598 0.73 TSHR (0.41) ALDH1A1MAPTCYP1A2TSHRRAB9A
SCHEMBL21691195 0.73 TSHR (0.41) ALDH1A1MAPTCYP1A2TSHRRAB9A
SCHEMBL20048857 0.73 TSHR (0.41) ALDH1A1MAPTCYP1A2TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358424-B Preparation method of sulfinate compound 浙江工业大学 2022-06-21 CN disclosed
CN-112358424-A Preparation method of sulfinate compound 浙江工业大学 2021-02-12 CN disclosed
US-7868023-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
US-7868023-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
US-7868023-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
EP-1863785-B1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2009-12-02 EP disclosed
EP-1863785-B1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2009-12-02 EP disclosed
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS SUBASINGHE NALIN L 2008-10-16 US disclosed
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS SUBASINGHE NALIN L 2008-10-16 US disclosed
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS SUBASINGHE NALIN L 2008-10-16 US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 US disclosed
EP-1863785-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING CMPLEMENT-MEDIATED DESEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 EP disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 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 (2 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-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS C5, C1R, C1QBP ALDH1A1 1594/4885MAPK1 1619/4885MAPT 4173/4885
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions C5, C1QBP, C1R ALDH1A1 1405/4885MAPK1 1318/4885MAPT 4246/4885

“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.