SCHEMBL3866565

SCHEMBL3866565

Cc1cc(O[Si](C)(C)C)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RXRB P28702 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXRA P19793 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL4753702 0.83 CA12 (0.46) HTTALDH1A1RXRBKDM4ERXRA
SCHEMBL2581744 0.83 KDM4E (0.44) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7623240 0.81 POLB (0.54) HTTALDH1A1RXRBKDM4ERXRA
SCHEMBL634335 0.79 HTT (0.65) HTTALDH1A1KDM4EPOLBHPGD
SCHEMBL9508152 0.79 GSTP1 (0.39) HTT
SCHEMBL9508147 0.79 HTT (0.34) HTT
Ammonia Solution, Strong SCHEMBL28108457 0.78 HTT (0.63) HTTALDH1A1KDM4EPOLBHPGD
SCHEMBL5121870 0.76 ALDH1A1 (0.73) HTTALDH1A1RXRBKDM4ERXRA
SCHEMBL6441929 0.76 KDM4E (0.69) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3301071 0.75 ALDH1A1 (0.51) HTTALDH1A1RXRBKDM4ERXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D SEARLE & CO. (US) 2006-12-07 US disclosed
US-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 US disclosed
US-6924286-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-08-02 US disclosed
US-6646010-B2 Enzyme inhibitors such as N(3-benzyloxycarbonylamino-2-hydroxy -4-phenylbutyl)-N-isoamylamine, used for prophylaxis of viral diseases and infections; lymphadenopathy associated virus G. D. SEARLE & CO. 2003-11-11 US disclosed
US-6417387-B1 IN PARTICULAR AS INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-07-09 US disclosed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US disclosed
US-6248775-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2001-06-19 US disclosed
US-6046190-A FOR INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 2000-04-04 US disclosed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US disclosed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 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 (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-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP HTT 853/4885ALDH1A1 1488/4885RXRB 2783/4885
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP HTT 805/4885ALDH1A1 1630/4885RXRB 2865/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP HTT 854/4885ALDH1A1 1555/4885RXRB 2821/4885

“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.