SCHEMBL7542916

SCHEMBL7542916

NNc1ccccc1C=O.O=C(O)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
PTK2B Q14289 1/20 0.47
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
IL1RN P18510 1/20 0.42
AKR1C3 P42330 3/20 0.41
CYP2C19 P33261 1/20 0.41
SLC16A3 O15427 2/20 0.41
ALDH1A1 P00352 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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 0.84 TP53 (0.52) KDM4ETSHRPTK2BKMT2ACA1
SCHEMBL7539656 0.83 CA1 (0.52) KDM4ETSHRPTK2BKMT2ACA1
SCHEMBL7544109 0.82 PTK2B (0.66) KDM4ETSHRPTK2BKMT2ACA1
Phenylhydrazine SCHEMBL7535360 0.80 CA1 (0.54) KDM4ETSHRPTK2BKMT2ACA1
SCHEMBL11174349 0.78 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL29812595 0.78 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL981408 0.78 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL135795 0.78 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL31042233 0.78 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL2365679 0.76 LCK (0.61) KDM4ETSHRPTK2BCA1CA2

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 KDM4E 3406/4885TSHR 4831/4885PTK2B 3993/4885

“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.