SCHEMBL6334342

SCHEMBL6334342

CCS(=O)(=O)NC(C(=O)NCCc1ccc(OCC#Cc2ccc(Br)cc2)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.45
MMP9 P14780 4/20 0.45
MMP13 P45452 4/20 0.45
ADAM17 P78536 4/20 0.45
ACACB O00763 5/20 0.44
KMT2A Q03164 3/20 0.43
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ADAM10 O14672 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL6333769 0.92 ACACB (0.44) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL6333404 0.92 MMP1 (0.46) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL6331208 0.91 KMT2A (0.49) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL6331205 0.91 KMT2A (0.49) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL6331352 0.91 KMT2A (0.50) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL7028880 0.86 SMN1; SMN2 (0.39) MMP1MMP9MMP13ADAM17KMT2A
SCHEMBL7028093 0.84 LMNA (0.37) MMP1MMP9MMP13ADAM17KMT2A
SCHEMBL6332577 0.83 ACACB (0.45) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL6331353 0.82 KMT2A (0.48) MMP1MMP9MMP13ADAM17ACACB
SCHEMBL6340627 0.82 KMT2A (0.44) MMP1MMP9MMP13ADAM17ACACB

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-6864392-B2 α-Sulfin and α-Sulfonamino amide derivatives SYNGENTA CROP PROTECTION, INC. (US) 2005-03-08 US disclosed
US-20040092401-A1 Novel alpha-sulfin and alpha-sulfonamino amide derivatives SYNGENTA CROP PROTECTION, INC. 2004-05-13 US disclosed
EP-1272460-A1 NOVEL ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDE DERIVATIVES Syngenta Participations AG (CH) 2003-01-08 EP disclosed
WO-2001079161-A1 NOVEL α-SULFIN- AND α-SULFONAMINO ACID AMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-10-25 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 (1 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-20040092401-A1 Novel alpha-sulfin and alpha-sulfonamino amide derivatives SULT1A1, STS, SULT2A1 MMP1 4073/4885MMP9 4268/4885MMP13 4475/4885

“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.