SCHEMBL7539656

SCHEMBL7539656

NNc1ccccc1O.O=C(O)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
PTK2B Q14289 1/20 0.50
KMT2A Q03164 3/20 0.49
F2 P00734 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
MAPT P10636 2/20 0.45
IL1RN P18510 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 4/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C1 Q04828 2/20 0.44

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
SCHEMBL7184686 0.88 TP53 (0.52) CA1CA2KDM4ETSHRPTK2B
SCHEMBL7544109 0.85 PTK2B (0.66) CA1CA2KDM4ETSHRPTK2B
SCHEMBL7542916 0.83 KDM4E (0.47) CA1CA2KDM4ETSHRPTK2B
Phenylhydrazine SCHEMBL7535360 0.83 CA1 (0.54) CA1CA2KDM4ETSHRPTK2B
SCHEMBL11174349 0.81 LCK (0.63) CA1CA2KDM4ETSHRPTK2B
SCHEMBL29812595 0.81 LCK (0.63) CA1CA2KDM4ETSHRPTK2B
SCHEMBL981408 0.81 LCK (0.63) CA1CA2KDM4ETSHRPTK2B
SCHEMBL135795 0.81 LCK (0.63) CA1CA2KDM4ETSHRPTK2B
SCHEMBL31042233 0.81 LCK (0.63) CA1CA2KDM4ETSHRPTK2B
Hydrochloric Acid SCHEMBL10586127 0.79 LCK (0.61) CA1CA2KDM4ETSHRPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 CA1 1889/4885CA2 1428/4885KDM4E 3406/4885

“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.