SCHEMBL5689205

SCHEMBL5689205

CC(C)CN(c1cccc(CC(C)CNC(=O)[C@@H](C)CS(C)(=O)=O)c1O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
LMNA P02545 4/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
RORC P51449 3/20 0.37
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HTT P42858 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL7765077 0.97 MMP2 (0.41) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL7956674 0.91 KEAP1 (0.40) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL7955245 0.91 KEAP1 (0.40) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL7953042 0.89 KEAP1 (0.39) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL7959894 0.89 KEAP1 (0.38) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL5691126 0.87 KEAP1 (0.39) KEAP1NFE2L2LMNAMMP2MMP13
Hydrochloric Acid SCHEMBL5506705 0.85 KEAP1 (0.38) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL5928160 0.85 KEAP1 (0.38) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL8500779 0.83 KEAP1 (0.39) KEAP1NFE2L2LMNAMMP2MMP13
SCHEMBL5031172 0.83 KEAP1 (0.36) KEAP1NFE2L2LMNAMMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060240410-A1 Retroviral protease inhibitor combinations G.D. SEARLE & CO. (US) 2006-10-26 US disclosed
EP-1649871-A1 Retroviral protease inhibitor combinations G.D. Searle LLC. (US) 2006-04-26 EP disclosed
US-20030207813-A1 Retroviral protease inhibitor combinations G.D. SEARLE (US) 2003-11-06 US disclosed
EP-0813519-B1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2001-05-09 EP disclosed
US-6169085-B1 A VIRICIDE FOR PREVENTING AND TREATING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, INHIBITING REPLICATION OF A RETROVIRUS AND TREATING AIDS G. D. SEARLE & COMPANY 2001-01-02 US disclosed
EP-1052250-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2000-11-15 EP disclosed
US-6100277-A ADMINISTERING MIXTURE OF FIRST AND SECOND RETROVIRAL PROTEASE INHIBITOR WHEREIN SAID SECOND RETROVIRAL PROTEASE INHIBITOR IS EFFECTIVE AGAINST VIRAL STRAIN(S) RESISTANT TO FIRST INHIBITOR G.D. SEARLE & CO. (US) 2000-08-08 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 (1 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-20030207813-A1 Retroviral protease inhibitor combinations PREP, SERPINB1, PRSS1 KEAP1 2475/4885NFE2L2 3935/4885LMNA 2553/4885

“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.