SCHEMBL7012928

SCHEMBL7012928

O=C(O)CCS(=O)(=O)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F10 P00742 10/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMO O15229 2/20 0.39
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL7009117 0.89 HDAC6 (0.46) CA2HDAC6F10POLBTHRB
Trifluoroacetic Acid SCHEMBL7111324 0.82 HDAC6 (0.43) CA2HDAC6F10POLBTHRB
SCHEMBL4625640 0.76 CA2 (0.47) CA2F10
SCHEMBL791131 0.74 CA2 (0.46) CA2F10
SCHEMBL947731 0.74 ALDH1A1 (0.56) F10ALDH1A1
SCHEMBL13624439 0.72 CA2 (0.45) CA2F10
SCHEMBL7012927 0.71 KEAP1 (0.42) HDAC6KMOALDH1A1APEX1
SCHEMBL7012084 0.71 CA2 (0.40) CA2F10POLBTHRBTDP1
SCHEMBL7018250 0.69 PFKFB3 (0.53) ALDH1A1
SCHEMBL1940753 0.69 HSD11B1 (0.63) POLBALDH1A1

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 CA2 1076/4885HDAC6 2504/4885F10 717/4885

“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.