SCHEMBL6320869

SCHEMBL6320869

Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccc(Br)s3)cc2c1Cc1ccc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
CXCR2 P25025 2/20 0.38
PTGS2 P35354 1/20 0.38
LGALS8 O00214 1/20 0.36
LGALS3 P17931 1/20 0.36
TP53 P04637 3/20 0.35
PTPN5 P54829 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GPER1 Q99527 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL5882187 0.93 MAPT (0.41) MAPTCXCR2PTGS2LGALS8LGALS3
SCHEMBL6318799 0.93 MAPT (0.41) MAPTPTGS2LGALS8LGALS3TP53
SCHEMBL6318323 0.90 MAPT (0.43) MAPTCXCR2PTGS2TP53PTPN5
SCHEMBL6320213 0.90 SCN5A (0.39) MAPTPTGS2TP53HDAC3HDAC4
SCHEMBL6319512 0.85 MGAM (0.43) MAPTCXCR2PTGS2HDAC3HDAC4
SCHEMBL6319584 0.84 MAPT (0.42) MAPTPTGS2LGALS8LGALS3TP53
SCHEMBL6320284 0.83 MAPT (0.40) MAPTTP53PTPN5HDAC3HDAC4
SCHEMBL5882663 0.82 FLT1 (0.49) MAPTPTGS2HDAC3HDAC4HDAC1
SCHEMBL6321322 0.82 PTGS2 (0.40) MAPTCXCR2PTGS2LGALS8LGALS3
SCHEMBL6318645 0.81 MAPT (0.45) MAPTPTGS2TP53PTPN5HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US claimed
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US claimed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP claimed
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 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 (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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A MAPT 3941/4885CXCR2 2085/4885PTGS2 2111/4885
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP1, ADAMTS1 MAPT 1837/4885CXCR2 817/4885PTGS2 1037/4885

“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.