SCHEMBL5189503

SCHEMBL5189503

COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.68
KMT2A Q03164 1/20 0.67
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
CNR2 P34972 1/20 0.64
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 1/20 0.62
ALOX15 P16050 1/20 0.61
MAPT P10636 1/20 0.59

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
SCHEMBL9790211 0.90 HTT (0.59) FPR2KMT2AITGB3ITGA2BCNR2
SCHEMBL9790209 0.90 HTT (0.59) FPR2KMT2AITGB3ITGA2BCNR2
SCHEMBL4144668 0.88 ITGB3 (0.65) ITGB3ITGA2BCNR2CTSLCTSB
SCHEMBL10504767 0.88 ITGB3 (0.65) ITGB3ITGA2BCNR2CTSLCTSB
SCHEMBL4144665 0.88 ITGB3 (0.65) ITGB3ITGA2BCNR2CTSLCTSB
SCHEMBL11572546 0.88 FPR2 (0.64) FPR2KMT2AITGB3ITGA2BCNR2
SCHEMBL18478934 0.87 LCK (0.61) FPR2KMT2AITGB3ITGA2BHDAC3
SCHEMBL9800498 0.87 FPR2 (0.65) FPR2KMT2AITGB3ITGA2BHDAC3
SCHEMBL1458952 0.86 PSMB8 (0.67) KMT2AITGB3ITGA2BCNR2ALDH1A1
SCHEMBL1459346 0.86 PSMB8 (0.67) KMT2AITGB3ITGA2BCNR2ALDH1A1

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 15 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-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 US 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
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives TAIMED BIOLOGICS, INC. (TW) 2002-10-17 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 (5 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 FPR2 1026/4885KMT2A 906/4885ITGB3 2667/4885
US-20020151546-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 FPR2 1026/4885KMT2A 906/4885ITGB3 2667/4885
US-20030195159-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 FPR2 1026/4885KMT2A 906/4885ITGB3 2667/4885
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A FPR2 3422/4885KMT2A 3697/4885ITGB3 3183/4885
US-20030119803-A1 HIV protease inhibitors based on amino acid derivatives ANPEP, PEPD, XPNPEP1 FPR2 1026/4885KMT2A 906/4885ITGB3 2667/4885

“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.