SCHEMBL4896468

SCHEMBL4896468

C[C@@H](C(=O)OCc1ccccc1)C(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
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
CTSS P25774 3/20 0.44
SLC15A1 P46059 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 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
SCHEMBL5405061 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL4896464 0.90 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL5405068 0.90 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7400523 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8201762 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL15114666 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12137982 0.85 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12027690 0.85 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL20564964 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL15105964 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 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-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7038084-B2 Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-02 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 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
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (4 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ALDH1A1 2859/4885KMT2A 1293/4885MAPK1 3128/4885
US-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors HAT1, UBXN4, PRSS1 ALDH1A1 3181/4885KMT2A 1060/4885MAPK1 3760/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP ALDH1A1 2626/4885KMT2A 599/4885MAPK1 2527/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ALDH1A1 2763/4885KMT2A 531/4885MAPK1 2453/4885

“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.