SCHEMBL7014945

SCHEMBL7014945

O=C(O)CCS(=O)(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 2/20 0.51
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP14 P50281 1/20 0.49
CLK1 P49759 2/20 0.46
PAX8 Q06710 1/20 0.46
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
HSD11B1 P28845 1/20 0.44
APEX1 P27695 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7010023 0.84 MMP2 (0.68) HTTNPSR1KDM4EALDH1A1MMP1
SCHEMBL7010857 0.81 HSD11B1 (0.58) HTTNPSR1KDM4EALDH1A1MMP1
SCHEMBL7019141 0.78 MMP1 (0.46) HTTNPSR1ALDH1A1MMP1CLK1
SCHEMBL7870815 0.77 HTT (0.64) HTTNPSR1KDM4EALDH1A1MMP1
SCHEMBL1001018 0.76 HSD11B1 (0.69) HTTNPSR1KDM4EALDH1A1NPC1
SCHEMBL1940753 0.75 HSD11B1 (0.63) HTTNPSR1KDM4EALDH1A1MMP1
SCHEMBL7869978 0.75 HTT (0.62) HTTNPSR1KDM4EALDH1A1PAX8
SCHEMBL7704838 0.75 ALDH1A1 (0.67) HTTNPSR1KDM4EALDH1A1PAX8
SCHEMBL12106076 0.75 HTT (0.62) HTTNPSR1KDM4EALDH1A1PAX8
SCHEMBL7874006 0.75 HTT (0.62) HTTNPSR1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH HTT 864/4885NPSR1 457/4885KDM4E 533/4885

“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.