SCHEMBL609657

SCHEMBL609657

CC(C)CNC([C@H](O)[C@H](Cc1ccccc1)NC(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BACE1 P56817 2/20 0.41
CTSD P07339 2/20 0.40
KLK5 Q9Y337 1/20 0.40
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL271177 0.78 TRPM8 (0.47) BCHENPC1RAB9ABACE1CTSD
SCHEMBL16163308 0.78 NPC1 (0.43) BCHENPC1RAB9ABACE1KLK5
SCHEMBL6787279 0.77 CTSL (0.39) BCHENPC1RAB9ABACE1CTSD
SCHEMBL2416910 0.77 CA12 (0.37) BCHENPC1RAB9ACTSDCA2
SCHEMBL2416905 0.77 CA12 (0.37) BCHENPC1RAB9ACTSDCA2
SCHEMBL6340455 0.76 REN (0.58) NPC1RAB9A
SCHEMBL4687328 0.76 NPC1 (0.50) BCHENPC1RAB9A
SCHEMBL6893977 0.75 HPGD (0.47) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL2188440 0.75 BACE1 (0.54) BCHEBACE1
SCHEMBL3324386 0.75 BACE1 (0.54) BCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-20050131042-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 (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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP BCHE 201/4885NPC1 569/4885RAB9A 2012/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP BCHE 429/4885NPC1 2889/4885RAB9A 3423/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP BCHE 201/4885NPC1 569/4885RAB9A 2012/4885

“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.