SCHEMBL19968566

SCHEMBL19968566

O=S(=O)(O)CCC[n+]1ccc(-c2cc[n+](CCCS(=O)(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APP P05067 1/20 0.38
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37

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
SCHEMBL30218182 0.98 MEN1 (0.44) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL918101 0.93 PABPC1 (0.47) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL19961822 0.91 MEN1 (0.56) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL19961817 0.91 MEN1 (0.43) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL19961819 0.89 KMT2A (0.65) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL19968707 0.87 CYP2C19 (0.39) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL19968567 0.87 MEN1 (0.40) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL18350823 0.86 MEN1 (0.46) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL3072750 0.84 HTT (0.50) CYP2C9CYP2C19HTTPABPC1EIF4H
SCHEMBL28671146 0.82 PABPC1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT

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-10934258-B2 Materials for use in an aqueous organic redox flow battery UTAH STATE UNIVERSITY (US) 2021-03-02 US disclosed
US-20180072669-A1 MATERIALS FOR USE IN AN AQUEOUS ORGANIC REDOX FLOW BATTERY UTAH STATE UNIVERSITY (US) 2018-03-15 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 (2 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-10934258-B2 Materials for use in an aqueous organic redox flow battery GPX1, SOD1, MPO MEN1 2995/4885TP53 498/4885CYP1A2 461/4885
US-20180072669-A1 MATERIALS FOR USE IN AN AQUEOUS ORGANIC REDOX FLOW BATTERY GPX1, SOD1, MPO MEN1 2995/4885TP53 498/4885CYP1A2 461/4885

“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.