SCHEMBL7017801

SCHEMBL7017801

CNCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA13 Q8N1Q1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 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
SCHEMBL12352605 0.83 KMT2A (0.52) ALDH1A1KDM4EHTTGAAKMT2A
Trifluoroacetic Acid SCHEMBL7014625 0.81 F10 (0.46) F10ALDH1A1KDM4EHPGD
SCHEMBL7009075 0.80 F10 (0.46) F10ALDH1A1HTT
SCHEMBL7008974 0.80 F10 (0.47) F10ALDH1A1KDM4EHPGD
SCHEMBL7009093 0.79 CA2 (0.49) F10ALDH1A1KDM4EHTTKMT2A
SCHEMBL7014747 0.79 F10 (0.46) F10ALDH1A1KDM4EHPGDKMT2A
SCHEMBL7018080 0.78 F10 (0.45) F10
SCHEMBL7015078 0.76 F10 (0.44) F10ALDH1A1HTT
SCHEMBL7015561 0.76 CA2 (0.51) F10ALDH1A1HTTCA2
SCHEMBL7011601 0.76 F10 (0.56) F10ALDH1A1KDM4EHPGDHTT

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 F10 717/4885ALDH1A1 4317/4885KDM4E 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.

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