SCHEMBL4086401

SCHEMBL4086401

CC(C)(C)c1ccc(-c2c(I)sc3c(I)c(C(=O)O)n(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.39
GRIA2 P42262 2/20 0.37
GRIA4 P48058 2/20 0.37
CCR9 P51686 6/20 0.35
ICMT O60725 1/20 0.35
MDM2 Q00987 3/20 0.34
PTGES O14684 1/20 0.34
PPARG P37231 1/20 0.33
MAPT P10636 1/20 0.33
CENPE Q02224 1/20 0.33
FOLH1 Q04609 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL2806816 0.73 SERPINE1 (0.60) SERPINE1PPARGMAPTFOLH1TACR1
SCHEMBL4096172 0.70 FEN1 (0.35) CCR9PTGESFOLH1
SCHEMBL4093710 0.67 TACR1 (0.40) PTGESTACR1
SCHEMBL2809577 0.64 PPARG (0.51) SERPINE1PPARGFOLH1
SCHEMBL2806758 0.62 SERPINE1 (0.63) SERPINE1MDM2PPARGFOLH1
SCHEMBL4092414 0.61 PTGES (0.72) SERPINE1CCR9PTGESMAPT
SCHEMBL15511862 0.61 SERPINE1 (0.43) SERPINE1MDM2PTGESPPARG
SCHEMBL4086605 0.61 TACR1 (0.40) MAPTTACR1
SCHEMBL2807174 0.60 SERPINE1 (0.61) SERPINE1CCR9PPARGFOLH1
SCHEMBL4092069 0.57 MAPT (0.42) GRIA2GRIA4MDM2MAPT

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 SERPINE1 1731/4885GRIA2 1642/4885GRIA4 886/4885

“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.