SCHEMBL7522028

SCHEMBL7522028

Cc1cccc(-c2ccccc2CSc2nc3c(s2)CCc2c(OCC(=O)O)cccc2-3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.43
PTGDR Q13258 3/20 0.43
PPARD Q03181 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
FABP4 P15090 2/20 0.36
FABP5 Q01469 2/20 0.36
POLB P06746 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 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
SCHEMBL7518603 0.92 PTGIR (0.41) PTGIRPTGDRPPARDPTGDR2FFAR1
SCHEMBL7526339 0.90 PTGIR (0.43) PTGIRPTGDRPPARDPTGDR2MEN1
SCHEMBL7555833 0.90 PTGIR (0.43) PTGIRPTGDRPPARDPTGDR2FFAR1
SCHEMBL7527935 0.89 PPARD (0.41) PTGIRPTGDRPPARDPTGDR2FFAR1
SCHEMBL7526667 0.88 PPARD (0.40) PTGIRPTGDRPPARDPTGDR2FFAR1
SCHEMBL7523175 0.87 PTGIR (0.41) PTGIRPTGDRPPARDPTGDR2FFAR1
SCHEMBL7520987 0.87 PPARD (0.49) PTGIRPTGDRPPARDPTGDR2PPARG
SCHEMBL7524424 0.86 PPARD (0.41) PTGIRPTGDRPPARDPTGDR2FFAR1
SCHEMBL7523903 0.84 PPARD (0.39) PTGIRPTGDRPPARDMEN1KMT2A
SCHEMBL7523246 0.84 PPARD (0.42) PTGIRPTGDRPPARDPTGDR2FFAR1

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 3/4885PPARD 942/4885

“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.