SCHEMBL7523575

SCHEMBL7523575

O=C(O)COc1cccc2c1OC(SCc1ccccc1)c1sc(-c3ccc4ccccc4c3)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.38
FFAR1 O14842 3/20 0.37
PPARA Q07869 1/20 0.37
S1PR5 Q9H228 6/20 0.37
S1PR4 O95977 5/20 0.36
PTPN1 P18031 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
FABP4 P15090 2/20 0.35
PTPN7 P35236 1/20 0.34

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
SCHEMBL7521989 0.95 S1PR5 (0.37) PPARDS1PR5S1PR4PTPN1TP53
SCHEMBL7527054 0.90 PPARD (0.38) PPARDFFAR1PPARAPTPN1TP53
SCHEMBL7523863 0.90 TP53 (0.44) PPARDTP53POLBMAPTPTGDR2
SCHEMBL7521979 0.86 ALDH1A1 (0.40) PTPN1TP53POLBMAPTPTGDR2
SCHEMBL7527946 0.83 PPARD (0.39) PPARDFFAR1PPARAS1PR5S1PR4
SCHEMBL7523182 0.73 PTGDR2 (0.41) PPARDFFAR1PPARAPTGDR2
SCHEMBL7520993 0.73 PTGDR2 (0.43) PPARDPTPN1PTGDR2
SCHEMBL7524434 0.72 TP53 (0.41) PPARDPPARATP53POLBMAPT
SCHEMBL7518610 0.72 PTGIR (0.41) PPARDFFAR1PPARAPTGDR2
SCHEMBL7522034 0.72 PTGIR (0.43) PPARDFFAR1PPARATP53POLB

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 PPARD 942/4885FFAR1 53/4885PPARA 765/4885

“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.