SCHEMBL7524448

SCHEMBL7524448

O=C(O)COc1cccc2c1CCc1sc(S(=O)(=O)Cc3ccccc3-c3ccc([N+](=O)[O-])cc3)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
EIF4E P06730 4/20 0.34
CYP19A1 P11511 2/20 0.34
PPARD Q03181 1/20 0.33
MAPT P10636 4/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGIR P43119 3/20 0.32
PTGDR Q13258 2/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7527899 0.90 PTGIR (0.40) PTGDR2MEN1POLBKMT2APTGIR
SCHEMBL7521203 0.89 PTGIR (0.40) PTGDR2ALDH1A1MEN1POLBKMT2A
SCHEMBL7528905 0.89 PTGDR2 (0.39) PTGDR2PPARDMEN1POLBKMT2A
SCHEMBL7518701 0.87 PTGDR2 (0.41) PTGDR2ALDH1A1MEN1POLBKMT2A
SCHEMBL7962801 0.86 PPARA (0.35) EIF4ECYP19A1PPARDMAPTMEN1
SCHEMBL7521160 0.85 PTGDR2 (0.43) PTGDR2EIF4EPPARDMAPTGAA
SCHEMBL7523785 0.84 PTGIR (0.42) PTGDR2PPARDMEN1POLBKMT2A
SCHEMBL7561844 0.84 PTGIR (0.42) PTGDR2PPARDMEN1POLBKMT2A
SCHEMBL7518862 0.84 PTGIR (0.42) PTGDR2PPARDMEN1POLBKMT2A
SCHEMBL7523291 0.84 MAPT (0.35) PTGDR2EIF4EMAPTALDH1A1MEN1

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR PTGDR2 10/4885EIF4E 4472/4885CYP19A1 488/4885

“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.