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SCHEMBL5377295

SCHEMBL5377295

Cc1cc(F)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)CC(C)CN1CCNC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.57
▸ ABCC3 O15438 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ SCN5A Q14524 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ CTSD P07339 5/20 0.35
▸ BACE1 P56817 4/20 0.35
▸ CA2 P00918 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ BCHE P06276 2/20 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
SCHEMBL5365255 0.94 CYP3A4 (0.59) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5368791 0.94 CYP3A4 (0.58) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5372614 0.93 CYP3A4 (0.66) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5372497 0.90 CYP3A4 (0.55) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5373737 0.86 CYP3A4 (0.55) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL2058974 0.86 CYP3A4 (0.62) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5416267 0.85 CYP3A4 (0.61) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5377291 0.83 CYP3A4 (0.79) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5373930 0.83 CYP3A4 (0.58) CYP3A4ABCC3ABCC4ABCB11PGR
SCHEMBL5365281 0.81 ABCC3 (0.60) CYP3A4ABCC3ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 — — US claimed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 — — EP claimed
EP-2654791-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS The Feinstein Institute for Medical Research (US) 2013-10-30 — — EP disclosed
WO-2012088305-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2012-06-28 — — WO disclosed
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 — — US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 — — US disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 — — US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 — — 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-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 CYP3A4 1600/4885ABCC3 2311/4885ABCC4 2547/4885

“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.