Sugi Predict

Sugi Predict / Compounds / SCHEMBL4908808

SCHEMBL4908808

SCHEMBL4908808

CC(C)CCNCC(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ CTSB P07858 2/20 0.52
▸ CTRB1 P17538 2/20 0.48
▸ BACE1 P56817 4/20 0.48
▸ CTSD P07339 2/20 0.48
▸ ACE2 Q9BYF1 1/20 0.47
▸ NMBR P28336 1/20 0.47
▸ CTSK P43235 4/20 0.47
▸ CTSL P07711 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ SLC6A11 P48066 1/20 0.46

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
SCHEMBL2577831 1.00 SPPL2A (0.53) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL2582361 1.00 SPPL2A (0.53) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL5413813 0.90 TRPM8 (0.56) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL4910315 0.90 TRPM8 (0.56) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL7698179 0.90 TRPM8 (0.56) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL24324236 0.90 TRPM8 (0.56) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL5863319 0.86 TRPM8 (0.53) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL5863316 0.86 TRPM8 (0.53) SPPL2ATRPM8CTSBCTRB1BACE1
SCHEMBL5439744 0.86 BACE1 (0.51) BACE1CTSDBCHESLC6A11
SCHEMBL5439746 0.86 BACE1 (0.51) BACE1CTSDBCHESLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 — — US disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 — — US disclosed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 — — US disclosed
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 — — EP disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 — — US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 — — US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 — — US disclosed
US-7141594-B2 inhibitors of HIV protease for treating AIDS G. D. SEARLE & CO. (US) 2006-11-28 — — US disclosed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 — — US disclosed
US-5760076-A Succinoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D SEARLE & CO. (US) 1998-06-02 — — US disclosed
US-5760064-A RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE (US) 1998-06-02 — — US disclosed
US-5756498-A Sulfonylalkanoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-05-26 — — US disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 — — US disclosed
US-5744481-A β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-04-28 — — US disclosed
US-5714605-A HIV PROTEASE INHIBITOR MONSANTO COMPANY (US) 1998-02-03 — — US disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 — — EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 — — WO disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 — — WO disclosed
US-5510388-A TREATING HTLV, AIDS G. D. SEARLE & CO. (US) 1996-04-23 — — 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 (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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP SPPL2A 636/4885TRPM8 3829/4885CTSB 31/4885
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP SPPL2A 197/4885TRPM8 3201/4885CTSB 136/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 282/4885TRPM8 4123/4885CTSB 34/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP SPPL2A 636/4885TRPM8 3829/4885CTSB 31/4885

“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.