SCHEMBL6389997

SCHEMBL6389997

CC(C)(C)c1ccc2cc(S(=O)(=O)O)cc3c2c1C(=O)OC3=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 9/20 0.36
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SNCA P37840 2/20 0.33
▸ CASP6 P55212 3/20 0.32
▸ NSD2 O96028 3/20 0.32
▸ DUSP3 P51452 2/20 0.32
▸ PTPN5 P54829 2/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ NT5E P21589 1/20 0.31

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
SCHEMBL6390629 0.83 TYMS (0.38) TYMSSUMO2SUMO1SENP7SENP2
SCHEMBL6390635 0.81 TYMS (0.36) TYMSSUMO2SUMO1SENP7SENP2
SCHEMBL6393851 0.80 TYMS (0.36) TYMSSUMO2SUMO1SENP7SENP2
SCHEMBL6390766 0.79 TYMS (0.35) TYMSALDH1A1CASP6NSD2CYP2C9
SCHEMBL6390622 0.78 TYMS (0.41) TYMSALDH1A1MAPK1SNCACASP6
SCHEMBL6389583 0.78 TYMS (0.34) TYMSALDH1A1CASP6NSD2CYP2C9
SCHEMBL6389564 0.77 ELANE (0.35) TYMSALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6394923 0.76 TYMS (0.36) TYMSSENP7ALDH1A1PRMT1NT5E
SCHEMBL6388305 0.76 ELANE (0.36) TYMSALDH1A1MAPK1
SCHEMBL6390858 0.75 NT5E (0.44) TYMSALDH1A1CASP6CYP2C9CYP2C19

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 4742/4885SUMO2 3749/4885SUMO1 2897/4885

“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