SCHEMBL4095247

SCHEMBL4095247

CC(C)(C)c1ccc(-c2c(I)sc3c(I)c(C(=O)O)n(Cc4cccc(Oc5ccccc5)c4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
SERPINE1 P05121 2/20 0.40
PTGES O14684 2/20 0.38
FABP1 P07148 1/20 0.38
PPARG P37231 3/20 0.36
EDNRB P24530 1/20 0.36
CCR8 P51685 3/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4086401 0.81 SERPINE1 (0.39) SERPINE1PTGESPPARG
SCHEMBL6091753 0.75 SERPINE1 (0.57) FAAHSERPINE1PTGESFABP1PPARG
SCHEMBL6091399 0.71 SERPINE1 (0.46) FAAHSERPINE1PTGESFABP1PPARG
SCHEMBL6090004 0.70 CCR8 (0.43) FAAHSERPINE1FABP1PPARGCCR8
SCHEMBL6092494 0.68 SERPINE1 (0.47) FAAHSERPINE1FABP1PPARGCCR8
SCHEMBL6856145 0.65 EDNRB (0.41) SERPINE1EDNRBKDM4EALDH1A1LMNA
SCHEMBL2808240 0.63 SERPINE1 (0.57) SERPINE1PPARGEDNRBNR4A1NR4A2
SCHEMBL2810203 0.62 SERPINE1 (0.62) SERPINE1PPARGEDNRB
SCHEMBL2807015 0.62 SERPINE1 (0.62) SERPINE1PTGESPPARGEDNRBALOX5
SCHEMBL13802648 0.61 FAAH (0.49) FAAHKDM4EALDH1A1SMN1; SMN2NR4A1

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 FAAH 4639/4885SERPINE1 1731/4885PTGES 3/4885

“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.