SCHEMBL5368670

SCHEMBL5368670

C=CCN(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.53
SYK P43405 1/20 0.46
CTSL P07711 3/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
PPARA Q07869 1/20 0.41
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TGM2 P21980 1/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2059357 0.89 AKT1 (0.54) AKT1SYKCTSLCTSBCTSS
SCHEMBL4686808 0.88 AKT1 (0.54) AKT1SYKCTSLCTSBCTSS
SCHEMBL8432795 0.84 AKT1 (0.56) AKT1SYKCTSLCTSBCTSS
SCHEMBL25274670 0.80 AKT1 (0.52) AKT1SYKCTSLCTSBCTSS
SCHEMBL9756736 0.80 AKT1 (0.53) AKT1SYKCTSLCTSBCTSS
SCHEMBL6352709 0.79 AKT1 (0.48) AKT1SYKCTSLSMN1; SMN2L3MBTL1
SCHEMBL5639596 0.77 PPARA (0.53) SYKCTSLCTSBCTSSPPARA
SCHEMBL3508186 0.77 L3MBTL1 (0.44) SYKSMN1; SMN2L3MBTL1NPSR1CCR5
SCHEMBL6089700 0.76 PPARA (0.47) SYKCTSLCTSBCTSSPPARA
SCHEMBL7413961 0.76 L3MBTL1 (0.43) SYKL3MBTL1NPSR1CCR5ALDH1A1

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-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
EP-1295874-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2003-03-26 EP disclosed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 EP disclosed
US-6313296-B1 2-PYRROLIDINONE-1-ACETIC ACID DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS (HIV); ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT ABBOTT LABORATORIES 2001-11-06 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 AKT1 3063/4885SYK 4753/4885CTSL 41/4885

“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.