SCHEMBL6509957

SCHEMBL6509957

O=C(NO)c1cc2cc(NCS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.49
MMP14 P50281 3/20 0.49
PTPN22 Q9Y2R2 5/20 0.48
MMP13 P45452 5/20 0.46
MMP7 P09237 2/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP12 P39900 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN12 Q05209 1/20 0.46
BCAT1 P54687 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL6509267 0.93 BCAT1 (0.50) MMP2MMP14BCAT1
SCHEMBL6510457 0.87 BCAT1 (0.46) MMP2PTPN22MMP13BCAT1
SCHEMBL6509584 0.81 MEN1 (0.48) MMP2MMP14MMP13BCAT1
SCHEMBL6509898 0.77 HDAC1 (0.61) MMP2MMP14MMP13MMP7MMP1
SCHEMBL6509960 0.74 PTPN22 (0.58) PTPN22PTPN1PTPN12
SCHEMBL6510137 0.72 MEN1 (0.60)
SCHEMBL6514424 0.71 ALDH1A1 (0.66)
SCHEMBL6506293 0.71 HDAC1 (0.58)
SCHEMBL6506633 0.70 RAB9A (0.74)
SCHEMBL6507290 0.70 HDAC1 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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 (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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 MMP2 305/4885MMP14 486/4885PTPN22 3254/4885

“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.