SCHEMBL6395149

SCHEMBL6395149

CC(C)Cc1ccc2c3c(cc(S(=O)(=O)O)cc13)C(=O)OC2=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.36
▸ CTSG P08311 1/20 0.36
▸ TYMS P04818 4/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 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
SCHEMBL6392749 0.87 TYMS (0.36) TYMSALOX15CYP2C19
SCHEMBL6393874 0.84 ELANE (0.35) ELANECTSGTYMSALOX15
SCHEMBL6390867 0.81 ELANE (0.38) ELANECTSGTYMS
SCHEMBL6386946 0.81 TYMS (0.35) TYMSCYP2C19
SCHEMBL6389564 0.81 ELANE (0.35) ELANECTSGTYMSCYP2C19
SCHEMBL6389597 0.79 SMN1; SMN2 (0.39) TYMSCYP1A2CYP2C19GABRA1GABRB2
SCHEMBL6389483 0.77 TIMP3 (0.39) TYMSCYP1A2CYP2C19GABRA1GABRB2
SCHEMBL6390530 0.76 ELANE (0.39) ELANECTSGTYMSGABRA1GABRB2
SCHEMBL6390766 0.75 TYMS (0.35) TYMSCYP2C19
SCHEMBL6389217 0.75 TYMS (0.33) TYMSCYP1A2

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 ELANE 2335/4885CTSG 2871/4885TYMS 4742/4885

“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.

Send feedback