SCHEMBL4097147

SCHEMBL4097147

O=C(O)c1cc2sc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2n1Cc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.52
PTGES O14684 1/20 0.50
CCR9 P51686 4/20 0.46
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
PLA2G1B P04054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ABCB11 O95342 1/20 0.41
PPARG P37231 2/20 0.41

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
SCHEMBL4086421 0.87 MAPT (0.48) PTGESGRIN1GRIN2B
SCHEMBL4092463 0.79 CCR2 (0.55) CCR2PTGESCCR9ABCB11
SCHEMBL4104997 0.77 CCR2 (0.53) CCR2PTGESCCR9ABCB11
SCHEMBL4093522 0.76 CCR2 (0.53) CCR2CCR9ABCB11
SCHEMBL7682483 0.73 CCR2 (0.58) CCR2ABCB11
SCHEMBL4648818 0.73 CCR2 (0.53) CCR2CCR9PPARG
SCHEMBL4096233 0.73 CCR2 (0.57) CCR2CCR9ABCB11
SCHEMBL3198946 0.73 CCR2 (0.71) CCR2CCR9ABCB11PPARG
SCHEMBL4086498 0.71 TP53 (0.46) CCR2CCR9ABCB11
SCHEMBL4093410 0.69 TP53 (0.44) CCR2PTGES

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES CCR2 1118/4885PTGES 3/4885CCR9 2391/4885

“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.