SCHEMBL7522740

SCHEMBL7522740

O=C(O)COc1cccc2c1CCc1sc(SC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)nc1-2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.34
PTGDR Q13258 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7524431 0.98 PTGIR (0.40) PTGIRPTGDR2PTGDRPPARD
SCHEMBL7519310 0.92 PTGIR (0.43) PTGIRPTGDRPOLBMEN1KMT2A
SCHEMBL7528277 0.92 PTGDR2 (0.41) PTGIRPTGDR2PTGDRPPARDPOLB
SCHEMBL7526342 0.91 PTGIR (0.41) PTGIRPTGDR2PTGDRPPARA
SCHEMBL7518608 0.90 PTGIR (0.40) PTGIRPTGDR2PTGDRTDP1
SCHEMBL7523179 0.90 PTGIR (0.40) PTGIRPTGDR2PTGDRPPARD
SCHEMBL7520989 0.88 PPARD (0.40) PTGIRPTGDR2PTGDRPPARDPPARA
SCHEMBL7523249 0.88 PTGIR (0.39) PTGIRPTGDR2PTGDRPOLBMAPT
SCHEMBL7521471 0.87 PTGIR (0.38) PTGIRPTGDR2PTGDR
SCHEMBL7521164 0.86 PTGDR2 (0.39) PTGIRPTGDR2PTGDRSMN1; SMN2PPARD

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
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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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 PTGIR 11/4885PTGDR2 10/4885PTGDR 3/4885

“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.