SCHEMBL6389480

SCHEMBL6389480

CCCc1cc2c3c(cc(S(=O)(=O)O)cc3c1)C(=O)OC2=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 9/20 0.37
▸ NT5E P21589 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL6389316 0.92 TYMS (0.36) TYMSNT5EALDH1A1HTTMETAP2
SCHEMBL6390877 0.89 TYMS (0.39) TYMSNT5EALDH1A1
SCHEMBL6390858 0.84 NT5E (0.44) TYMSNT5EALDH1A1
SCHEMBL6389560 0.83 TYMS (0.36) TYMSNT5EALDH1A1HTT
SCHEMBL6393946 0.79 NT5E (0.38) TYMSNT5EALDH1A1HTT
SCHEMBL6389583 0.77 TYMS (0.34) TYMSALDH1A1
SCHEMBL6390790 0.75 FABP3 (0.38) TYMSNT5EALDH1A1
SCHEMBL6389537 0.75 TYMS (0.44) TYMSNT5EALDH1A1HTTCA2
SCHEMBL6394923 0.75 TYMS (0.36) TYMSNT5EALDH1A1
SCHEMBL31004042 0.74 TYMS (0.58) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050040373-A1 Dopant and conductive polymer material therewith MITSUI CHEMICALS, INC. (JP) 2005-02-24 — — US disclosed
US-6814888-B2 FOR PRODUCING SOLID ELECTROLYTIC CAPACITOR MITSUI CHEMICALS, INC. (JP) 2004-11-09 — — US disclosed
US-20030142462-A1 Dopant agent and electroconductive polymer material comprising the same MITSUI CHEMICALS, INC. (JP) 2003-07-31 — — 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-20030142462-A1 Dopant agent and electroconductive polymer material comprising the same RPS6, H1-10, H1-0 TYMS 4742/4885NT5E 4509/4885ALDH1A1 667/4885

“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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