SCHEMBL3085696

SCHEMBL3085696

O=[N+]([O-])c1ccc2c(c1)sc1cc(S(=O)(=O)Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
CA2 P00918 2/20 0.43
CA5A P35218 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PDK1 Q15118 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4012568 0.93 MAPT (0.41) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3065870 0.93 HPGD (0.43) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL749155 0.85 CRHBP (0.53) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3116170 0.81 MAPT (0.34) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3116165 0.80 HPGD (0.36) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3091919 0.78 ALDH1A1 (0.47) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3083218 0.77 MAPT (0.55) HPGDMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3073201 0.77 ALDH1A1 (0.50) HPGDMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4870477 0.76 CRHBP (0.45) HPGDMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL4013159 0.75 KMT2A (0.62) MAPTCA2CA5AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
EP-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 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-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 HPGD 131/4885MAPT 3889/4885ALDH1A1 456/4885

“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.