SCHEMBL5405068

SCHEMBL5405068

CC(C(=O)O)C(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SLC15A1 P46059 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 2/20 0.44
PTPRC P08575 1/20 0.44
CYP26A1 O43174 1/20 0.43
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL4896464 1.00 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL4896468 0.90 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL5405061 0.90 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL8201762 0.87 ALDH1A1 (0.55) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL15114666 0.85 ALDH1A1 (0.53) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL20564964 0.84 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL27387256 0.83 ALDH1A1 (0.50) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL15105964 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL27408279 0.81 ALDH1A1 (0.51) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1
SCHEMBL20111501 0.80 ALDH1A1 (0.55) ALDH1A1SLC15A1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199158-B2 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-03 US disclosed
US-7199158-B2 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-03 US disclosed
US-7199158-B2 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-03 US disclosed
US-7038084-B2 Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-02 US disclosed
US-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-01-26 US disclosed
US-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-01-26 US disclosed
US-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-01-26 US disclosed
US-6951886-B2 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-10-04 US disclosed
US-20050004043-A1 Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-01-06 US disclosed
US-6727282-B2 HUMAN IMMUNODEFICIENCY VIRUS (HIV) OR AIDS TREATMENT G.D. SEARLE & CO. 2004-04-27 US disclosed
EP-0656886-B1 N-(ALKANOYLAMINO-2-HYDROXYPROPYL)-SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1997-06-25 EP disclosed
US-5610190-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
US-5602119-A TREATMENT OF HIV AND AIDS G. D. SEARLE & CO. 1997-02-11 US disclosed
EP-0666841-B1 SUCCINOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1997-01-22 EP disclosed
US-5510349-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 US disclosed
US-5463104-A Treating human immunodeficiency virus infection G. D. SEARLE & CO. (US) 1995-10-31 US disclosed
EP-0656886-A1 N-(ALKANOYLAMINO-2-HYDROXYPROPYL)-SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-06-14 EP disclosed
WO-1994004491-A1 N-(ALKANOYLAMINO-2-HYDROXYPROPYL)-SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 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 (2 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-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors HAT1, UBXN4, PRSS1 ALDH1A1 3181/4885SLC15A1 1464/4885KMT2A 1060/4885
US-20050004043-A1 Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors PRSS1, DNPEP, PREP ALDH1A1 2155/4885SLC15A1 1284/4885KMT2A 603/4885

“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.