SCHEMBL5193386

SCHEMBL5193386

CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.84
ECE1 P42892 12/20 0.77
ALOX15 P16050 1/20 0.73

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
SCHEMBL19801761 1.00 ACE (0.84) ACEECE1ALOX15
SCHEMBL28973297 0.92 ACE (0.80) ACEECE1ALOX15
SCHEMBL30207789 0.92 ACE (0.80) ACEECE1ALOX15
SCHEMBL11589466 0.92 ACE (0.80) ACEECE1ALOX15
SCHEMBL11493978 0.91 ACE (1.00) ACEECE1ALOX15
SCHEMBL9235805 0.91 ACE (0.78) ACEECE1ALOX15
SCHEMBL9235801 0.91 ACE (0.78) ACEECE1ALOX15
SCHEMBL2488765 0.91 ACE (0.78) ACEECE1ALOX15
SCHEMBL11493983 0.91 ACE (1.00) ACEECE1ALOX15
SCHEMBL1228369 0.91 ACE (0.78) ACEECE1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377542-B1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES AMBRILIA BIOPHARMA INC (CA) 2007-08-01 EP disclosed
EP-1803706-A1 HIV protease inhibitors based on amino acid derivatives Ambrilia Biopharma Inc. (CA) 2007-07-04 EP disclosed
US-6677367-B2 LYSINE DERIVATIVE WITH 2-AMINOSULFONYLTHIOPHENE SUBSTITUENT; ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) VIRICIDES PHARMACOR INC. (CA) 2004-01-13 US disclosed
EP-1377542-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES Pharmacor Inc. (CA) 2004-01-07 EP disclosed
US-6656965-B2 In particular N-epsilon-amino acid substituted L-lysine derivatives possessing aspartyl protease inhibitory properties. PHARMACOR INC. (CA) 2003-12-02 US disclosed
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-10-16 US disclosed
US-6610689-B2 Viricides PHARMACOR INC. (CA) 2003-08-26 US disclosed
US-6608100-B1 N-epsilon-amino acid substituted L-lysine sulfonamide derivatives possessing aspartyl protease inhibitory properties PHARMACOR INC. (CA) 2003-08-19 US disclosed
US-20030144265-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-07-31 US disclosed
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2003-06-26 US disclosed
US-6506786-B2 Such as N-isobutyl-N-(4-methylbenzene-sulfonyl)-N-(N-(4-methylbenzenesulfonyl)-L -phenylalanyl)-L-lysine PHARMACOR INC. (CA) 2003-01-14 US disclosed
WO-2002064551-A1 HIV PROTEASE INHIBITORS BASED ON AMINO ACID DERIVATIVES PHARMACOR INC. (CA) 2002-08-22 WO 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 (3 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-20030144265-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 ACE 24/4885ECE1 227/4885ALOX15 4375/4885
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 ACE 24/4885ECE1 227/4885ALOX15 4375/4885
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 ACE 24/4885ECE1 227/4885ALOX15 4375/4885

“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.