SCHEMBL7511081

SCHEMBL7511081

O=[N+]([O-])c1cccc(S(=O)O)c1.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 6/20 0.53
ALOX15 P16050 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TP53 P04637 1/20 0.49
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
DDX3X O00571 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
GAA P10253 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45

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
SCHEMBL8440395 0.98 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CES2
SCHEMBL1584157 0.96 TSHR (0.57) TSHRLMNAALDH1A1ALOX15CES2
Potassium Ion SCHEMBL7511076 0.79 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CES2
SCHEMBL1584154 0.79 TSHR (0.59) TSHRLMNAALDH1A1ALOX15CES2
SCHEMBL6693542 0.76 CES1 (0.48) TSHRLMNAALDH1A1CES2CES1
Dinitrophenylene SCHEMBL28091203 0.75 TSHR (0.90) TSHRLMNAALDH1A1ALOX15CES2
SCHEMBL17649054 0.75 TSHR (0.53) TSHRLMNAALDH1A1ALOX15CES2
SCHEMBL10775693 0.75 HPGD (0.32) LMNAALDH1A1CA2
Dinitrophenylene SCHEMBL29291896 0.75 TSHR (1.00) TSHRLMNAALDH1A1ALOX15CES2
Dinitrophenylene SCHEMBL36632 0.75 TSHR (1.00) TSHRLMNAALDH1A1ALOX15CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231197-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-14 EP disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 US disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 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-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 TSHR 3103/4885LMNA 2456/4885ALDH1A1 1133/4885

“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.