SCHEMBL6340627

SCHEMBL6340627

CCS(=O)(=O)NC(C(=O)NCCc1ccc(OCC#CC2CC2)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
MMP1 P03956 2/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
MEN1 O00255 5/20 0.42
CA2 P00918 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ACACB O00763 2/20 0.38
CA5A P35218 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL6333401 0.91 MMP1 (0.44) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL7074832 0.84 LMNA (0.40) KMT2AMEN1CA2RAB9APOLB
SCHEMBL6333769 0.83 ACACB (0.44) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL6331208 0.82 KMT2A (0.49) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL6334342 0.82 MMP1 (0.45) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL6331352 0.82 KMT2A (0.50) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL6331205 0.82 KMT2A (0.49) KMT2AMMP1MMP9MMP13ADAM17
SCHEMBL7030081 0.80 LMNA (0.38) KMT2AMEN1RAB9ALMNA
SCHEMBL7103229 0.78 MEN1 (0.50) KMT2AMEN1RAB9APOLBLMNA
SCHEMBL6331087 0.78 CA2 (0.55) KMT2AMMP13CA2RAB9ACA5A

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 KMT2A 2442/4885MMP1 4073/4885MMP9 4268/4885

“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.