SCHEMBL3105737

SCHEMBL3105737

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ EPOR P19235 4/20 0.45
▸ TSPO P30536 1/20 0.45
▸ LAP3 P28838 1/20 0.45
▸ PPARG P37231 3/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAOB P27338 2/20 0.44
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ GPR34 Q9UPC5 1/20 0.43

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
SCHEMBL2443383 0.81 LTA4H (0.55) LTA4HALOX5PTGS1PTGS2EPOR
SCHEMBL2438624 0.81 ALOX5 (0.41) LTA4HALOX5PTGS1PTGS2EPOR
SCHEMBL4960427 0.81 MME (0.46) MMEACE
SCHEMBL6010521 0.81 MME (0.46) MMEACE
SCHEMBL3798364 0.81 MME (0.46) MMEACE
SCHEMBL8769837 0.79 CTRB1 (0.48) —
SCHEMBL8382278 0.79 BCHE (0.48) LTA4HALOX5PTGS1PTGS2EPOR
SCHEMBL7419467 0.79 PPARG (0.55) LTA4HALOX5PTGS1PTGS2EPOR
SCHEMBL7425407 0.79 PPARG (0.55) LTA4HALOX5PTGS1PTGS2EPOR
SCHEMBL13535100 0.79 MME (0.39) MMEACE

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-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
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — 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-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP LTA4H 489/4885ALOX5 1718/4885PTGS1 1050/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP LTA4H 489/4885ALOX5 1718/4885PTGS1 1050/4885

“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.

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