SCHEMBL3803671

SCHEMBL3803671

O=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.59
PPARA Q07869 3/20 0.59
EPOR P19235 6/20 0.58
ALOX5 P09917 2/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MAOB P27338 1/20 0.54
PPARD Q03181 1/20 0.53
LTA4H P09960 1/20 0.52
LAP3 P28838 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51

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
SCHEMBL2438787 0.89 LTA4H (0.60) PPARGPPARAEPORALOX5PTGS1
SCHEMBL19930028 0.88 MAOB (0.63) PPARGPPARAALOX5FFAR1FFAR4
SCHEMBL13110183 0.87 EPOR (0.72) PPARGPPARAEPORALOX5PTGS1
SCHEMBL2319694 0.85 CYP1A2 (0.53) PTGS1
SCHEMBL8202673 0.85 CYP1A2 (0.53) PTGS1
SCHEMBL31062607 0.84 LDHA (0.58) PPARGPPARA
SCHEMBL6483824 0.84 MAOB (0.62) PPARGPPARAALOX5PTGS1PTGS2
SCHEMBL19930052 0.84 MAOB (0.59) PPARGPPARAFFAR1FFAR4MAOB
SCHEMBL2437662 0.84 MAOB (0.54) PPARGPPARAEPORALOX5PTGS1
SCHEMBL27799946 0.84 SLC7A5 (0.49) PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 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 (2 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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 PPARG 3424/4885PPARA 3797/4885EPOR 62/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP PPARG 4686/4885PPARA 4628/4885EPOR 4567/4885

“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.