SCHEMBL4910667

SCHEMBL4910667

CC(CC(=O)O)S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
MCHR1 Q99705 1/20 0.40
TSHR P16473 1/20 0.40
LIMK2 P53671 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ADAMTS4 O75173 1/20 0.38
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4914306 0.80 SLC15A1 (0.49) ALDH1A1LMNACA12CA9LIMK2
Water SCHEMBL7348578 0.79 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2TP53CA12
SCHEMBL4904266 0.78 MEN1 (0.47) ALDH1A1LMNASMN1; SMN2CA12CA9
SCHEMBL400891 0.77 CA12 (0.43) ALDH1A1LMNASMN1; SMN2TP53CA12
SCHEMBL15672929 0.76 CA12 (0.48) ALDH1A1LMNASMN1; SMN2TP53CA12
SCHEMBL12251459 0.76 CA12 (0.48) ALDH1A1LMNASMN1; SMN2TP53CA12
SCHEMBL15672824 0.74 TSHR (0.46) ALDH1A1LMNASMN1; SMN2TP53CA12
SCHEMBL6328361 0.73 LMNA (0.44) ALDH1A1LMNASMN1; SMN2TP53CA12
SCHEMBL22604469 0.73 MEN1 (0.41) ALDH1A1TP53CA12CA9KMT2A
SCHEMBL2888746 0.72 CA12 (0.44) ALDH1A1LMNASMN1; SMN2CA12CA9

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 13 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
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP 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 ALDH1A1 2674/4885LMNA 3038/4885SMN1; SMN2 2842/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885LMNA 3236/4885SMN1; SMN2 2504/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP ALDH1A1 2674/4885LMNA 3038/4885SMN1; SMN2 2842/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885LMNA 3236/4885SMN1; SMN2 2504/4885

“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.