SCHEMBL6317447

SCHEMBL6317447

COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.68
F2 P00734 1/20 0.61
AVPR1A P37288 7/20 0.59
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PLG P00747 1/20 0.53

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
SCHEMBL6435876 0.92 AVPR1B (0.69) AVPR1BF2AVPR1APOLBPLG
SCHEMBL28570961 0.81 CTSL (0.58) AVPR1BF2AVPR1APLG
SCHEMBL28559473 0.81 CTSL (0.58) AVPR1BF2AVPR1APLG
SCHEMBL28562286 0.81 CTSL (0.58) AVPR1BF2AVPR1APLG
SCHEMBL28565573 0.81 CTSL (0.58) AVPR1BF2AVPR1APLG
SCHEMBL28559474 0.81 CTSL (0.58) AVPR1BF2AVPR1APLG
SCHEMBL6387247 0.80 F2 (0.53) AVPR1BF2AVPR1A
SCHEMBL6387250 0.80 F2 (0.53) AVPR1BF2AVPR1A
SCHEMBL6390714 0.79 AVPR1B (0.53) AVPR1BF2AVPR1APLG
SCHEMBL6390711 0.79 AVPR1B (0.53) AVPR1BF2AVPR1APLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 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

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-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP1, ADAMTS1 AVPR1B 1279/4885F2 865/4885AVPR1A 1325/4885
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS AVPR1B 2300/4885F2 691/4885AVPR1A 3689/4885

“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.