SCHEMBL2443383

SCHEMBL2443383

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.55
▸ LAP3 P28838 1/20 0.49
▸ BCHE P06276 2/20 0.46
▸ REN P00797 1/20 0.45
▸ MAOB P27338 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPOR P19235 1/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42

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
SCHEMBL2059356 0.87 EPHX1 (0.48) MAOAPTGS1SLC6A2SLC6A3
SCHEMBL13536397 0.87 EPHX1 (0.48) MAOAPTGS1SLC6A2SLC6A3
SCHEMBL21409475 0.87 EPHX1 (0.48) MAOAPTGS1SLC6A2SLC6A3
SCHEMBL14599864 0.87 EPHX1 (0.48) MAOAPTGS1SLC6A2SLC6A3
SCHEMBL3362416 0.87 EPHX1 (0.48) MAOAPTGS1SLC6A2SLC6A3
SCHEMBL8168161 0.87 EPHX1 (0.48) MAOAPTGS1SLC6A2SLC6A3
SCHEMBL8382278 0.84 BCHE (0.48) LTA4HLAP3BCHEMAOBL3MBTL1
SCHEMBL3105737 0.81 LTA4H (0.46) LTA4HLAP3MAOBL3MBTL1EPOR
SCHEMBL5837980 0.80 EPHX1 (0.43) MAOASLC6A2SLC6A3
SCHEMBL7419467 0.79 PPARG (0.55) LTA4HLAP3BCHEMAOBL3MBTL1

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 9 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-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 — — EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 — — EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 — — US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 — — EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 — — WO disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — 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 (4 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 LTA4H 1562/4885LAP3 1518/4885BCHE 531/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LTA4H 489/4885LAP3 193/4885BCHE 201/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP LTA4H 489/4885LAP3 193/4885BCHE 201/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP LTA4H 489/4885LAP3 193/4885BCHE 201/4885

“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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