SCHEMBL4908095

SCHEMBL4908095

COC(=O)[C@@H](C)CS(=O)(=O)N(Cc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14113258 0.87 TSHR (0.47) KMT2AMEN1TSHRHTTTAS2R14
SCHEMBL4910864 0.70 KMT2A (0.47) KMT2AMEN1TSHRCA12CA2
SCHEMBL4910866 0.70 KMT2A (0.47) KMT2AMEN1TSHRCA12CA2
SCHEMBL4911567 0.70 ALDH1A1 (0.44) KMT2AMEN1TSHRCA12CA2
SCHEMBL9218545 0.69 POLB (0.47) KMT2AMEN1
SCHEMBL8414713 0.69 POLB (0.47) KMT2AMEN1
SCHEMBL4675370 0.69 ATM (0.60) ATMKMT2AMEN1TSHRHTT
SCHEMBL4675367 0.69 ATM (0.60) ATMKMT2AMEN1TSHRHTT
SCHEMBL10352071 0.69 KMT2A (0.46) KMT2AMEN1CA12CA9ALDH1A1
SCHEMBL6129751 0.68 ATM (0.53) ATMKMT2AMEN1TSHRHTT

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 12 patents. 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
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-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US disclosed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US disclosed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 EP disclosed
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 US disclosed
US-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US disclosed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 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 (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 ATM 4559/4885TDP1 1620/4885KMT2A 899/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ATM 4564/4885TDP1 1209/4885KMT2A 873/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP ATM 4559/4885TDP1 1620/4885KMT2A 899/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ATM 4564/4885TDP1 1209/4885KMT2A 873/4885

“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.