SCHEMBL7517343

SCHEMBL7517343

O=C(O)COc1cccc2c1CC(SCc1cccc(C(F)(F)F)c1)c1sc(-c3ccccc3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
PPARD Q03181 13/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 1/20 0.39
SCD O00767 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL7555841 0.87 PTGIR (0.43) PTGDR2PPARDPPARA
SCHEMBL7523182 0.87 PTGDR2 (0.41) PTGDR2PPARDPPARA
SCHEMBL7526347 0.85 PTGIR (0.43) PTGDR2PPARDPPARA
SCHEMBL7522034 0.85 PTGIR (0.43) PTGDR2PPARDPPARAPPARG
SCHEMBL7527946 0.85 PPARD (0.39) PTGDR2PPARDPPARAPTPN1
SCHEMBL7518610 0.84 PTGIR (0.41) PTGDR2PPARDPPARAPPARG
SCHEMBL7524434 0.84 TP53 (0.41) PTGDR2PPARDPPARA
SCHEMBL7523911 0.84 PTGIR (0.39) PPARDPPARA
SCHEMBL7531173 0.83 PTGDR2 (0.42) PTGDR2PPARDPPARAPPARGPTPN1
SCHEMBL7520993 0.83 PTGDR2 (0.43) PTGDR2PPARDPTPN1

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 PTGDR2 10/4885PPARD 942/4885PPARA 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.