SCHEMBL6509960

SCHEMBL6509960

CN(c1ccc2oc(C(=O)NO)cc2c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 15/20 0.58
PTPN1 P18031 3/20 0.55
PTPN12 Q05209 3/20 0.55
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
CLK1 P49759 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL6509270 0.93 BCAT1 (0.50) PTPN22PTPN1PTPN12NPC1LMNA
SCHEMBL6510460 0.87 PTPN22 (0.50) PTPN22NPC1LMNACLK1RAB9A
SCHEMBL6509586 0.81 RAB9A (0.44) PTPN22NPC1LMNACLK1RAB9A
SCHEMBL6509900 0.77 HTT (0.49) LMNAMAPTKDM4EMEN1ALOX12
SCHEMBL6509957 0.74 MMP2 (0.49) PTPN22PTPN1PTPN12
SCHEMBL31353100 0.73 PTPN22 (1.00) PTPN22PTPN1PTPN12
SCHEMBL6507327 0.72 ALDH1A1 (0.42) NPC1LMNACLK1RAB9AMAPT
SCHEMBL22587847 0.71 PTGER4 (0.48) PTPN22NPC1LMNACLK1RAB9A
SCHEMBL31353106 0.71 PTPN22 (1.00) PTPN22PTPN1PTPN12
SCHEMBL31353126 0.70 PTPN22 (0.77) PTPN22PTPN1PTPN12

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
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
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
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 PTPN22 3254/4885PTPN1 4077/4885PTPN12 3605/4885

“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.