SCHEMBL5870523

SCHEMBL5870523

CC(C)C[C@H](CC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.56
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
CPA1 P15085 3/20 0.52
CACNA2D1 P54289 2/20 0.50
FOLH1 Q04609 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
RNPEP Q9H4A4 1/20 0.46
SLC7A5 Q01650 1/20 0.46
LAP3 P28838 2/20 0.46
ANPEP P15144 1/20 0.46
SLC1A1 P43005 1/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL7262370 1.00 MME (0.56) MMESLC1A3SLC1A2CPA1CACNA2D1
SCHEMBL307076 1.00 MME (0.56) MMESLC1A3SLC1A2CPA1CACNA2D1
SCHEMBL14591440 0.87 FOLH1 (0.62) MMECPA1FOLH1ADRA1ACPB1
SCHEMBL524140 0.87 FOLH1 (0.62) MMECPA1FOLH1ADRA1ACPB1
Hydrochloric Acid SCHEMBL8841246 0.84 FOLH1 (0.59) MMECPA1FOLH1ADRA1ACPB1
SCHEMBL270456 0.84 FOLH1 (0.67) MMECPA1FOLH1CPB1CPA3
SCHEMBL276879 0.84 SLC1A3 (0.73) MMESLC1A3SLC1A2CPA1ADRA1A
SCHEMBL10000266 0.83 MME (0.55) MMESLC1A3SLC1A2CPA1CACNA2D1
SCHEMBL129650 0.83 FOLH1 (0.48) MMECPA1FOLH1CPB1CPA3
SCHEMBL25762254 0.83 SLC1A3 (0.54) MMESLC1A3SLC1A2CPA1CACNA2D1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
CN-1205181-C Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUOTS LT (DK) 2005-06-08 CN disclosed
CN-1161331-C Hydrazine derivative - 2004-08-11 CN disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
CN-1148346-C Hydrazine derivative - 2004-05-05 CN disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
CN-1309634-A Hydrazine derivs. HOFFMANN LA ROCHE (CH) 2001-08-22 CN disclosed
CN-1066150-C Bridged indoles as matrix metalloprotease inhibitors SYNTEX INC (US) 2001-05-23 CN disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
EP-0621867-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
US-5300501-A Metalloproteinase inhibitors CELLTECH LIMITED (GB) 1994-04-05 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 MME 106/4885SLC1A3 4132/4885SLC1A2 4234/4885

“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.