SCHEMBL2438637

SCHEMBL2438637

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.51
▸ EPOR P19235 5/20 0.51
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ LAP3 P28838 1/20 0.46
▸ PPARG P37231 4/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.45
▸ MAOB P27338 1/20 0.45

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
SCHEMBL2438636 1.00 ALOX5 (0.51) ALOX5EPORPTGS1PTGS2LTA4H
SCHEMBL5204924 0.89 EPHX1 (0.39) PTGS1
SCHEMBL11913036 0.89 EPHX1 (0.39) PTGS1
SCHEMBL2059512 0.89 EPHX1 (0.39) PTGS1
SCHEMBL14600170 0.89 EPHX1 (0.39) PTGS1
SCHEMBL2059511 0.89 EPHX1 (0.39) PTGS1
SCHEMBL8947146 0.89 EPHX1 (0.39) PTGS1
SCHEMBL13541094 0.84 L3MBTL1 (0.41) L3MBTL1
SCHEMBL3803671 0.81 PPARG (0.59) ALOX5EPORPTGS1PTGS2LTA4H
SCHEMBL2434733 0.80 DPP4 (0.40) PPARG

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 ALOX5 1495/4885EPOR 3731/4885PTGS1 1522/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALOX5 1718/4885EPOR 4567/4885PTGS1 1050/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP ALOX5 1718/4885EPOR 4567/4885PTGS1 1050/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP ALOX5 1718/4885EPOR 4567/4885PTGS1 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.

Send feedback