SCHEMBL7555833

SCHEMBL7555833

O=C(O)COc1cccc2c1CCc1sc(SCc3ccccc3-c3cccc(F)c3)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.43
PTGDR Q13258 3/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
DHODH Q02127 2/20 0.40
PPARD Q03181 4/20 0.38
FFAR1 O14842 1/20 0.38
PPARA Q07869 1/20 0.37
PTGER2 P43116 4/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7523175 0.92 PTGIR (0.41) PTGIRPTGDRPTGDR2DHODHPPARD
SCHEMBL7526339 0.90 PTGIR (0.43) PTGIRPTGDRPTGDR2PPARDPPARA
SCHEMBL7522028 0.90 PTGIR (0.43) PTGIRPTGDRPTGDR2PPARDFFAR1
SCHEMBL7527935 0.89 PPARD (0.41) PTGIRPTGDRPTGDR2DHODHPPARD
SCHEMBL7523903 0.88 PPARD (0.39) PTGIRPTGDRDHODHPPARDPPARA
SCHEMBL7524424 0.86 PPARD (0.41) PTGIRPTGDRPTGDR2PPARDFFAR1
SCHEMBL7518603 0.86 PTGIR (0.41) PTGIRPTGDRPTGDR2PPARDFFAR1
SCHEMBL7520987 0.85 PPARD (0.49) PTGIRPTGDRPTGDR2PPARDPPARA
SCHEMBL7523246 0.84 PPARD (0.42) PTGIRPTGDRPTGDR2PPARDFFAR1
SCHEMBL7526667 0.84 PPARD (0.40) PTGIRPTGDRPTGDR2PPARDFFAR1

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 11/4885PTGDR 3/4885PTGDR2 10/4885

“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.