SCHEMBL7184686

SCHEMBL7184686

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
PTK2B Q14289 1/20 0.51
KMT2A Q03164 6/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALB P02768 1/20 0.49
APEX1 P27695 1/20 0.49
MEN1 O00255 5/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL7539656 0.88 CA1 (0.52) KDM4ETSHRPTK2BKMT2ACA1
SCHEMBL7544109 0.86 PTK2B (0.66) KDM4ETSHRPTK2BKMT2ACA1
SCHEMBL7542916 0.84 KDM4E (0.47) KDM4ETSHRPTK2BKMT2ACA1
Phenylhydrazine SCHEMBL7535360 0.84 CA1 (0.54) KDM4ETSHRPTK2BKMT2ACA1
SCHEMBL135795 0.82 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL31042233 0.82 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL29812595 0.82 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL11174349 0.82 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL981408 0.82 LCK (0.63) KDM4ETSHRPTK2BCA1CA2
SCHEMBL7033677 0.81 MAPT (0.49) KDM4ETSHRPTK2BKMT2ACA1

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
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO 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 TP53 4835/4885KDM4E 3406/4885TSHR 4831/4885

“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.