SCHEMBL12734839

SCHEMBL12734839

CC(C)(CCC#N)CN(CC(O)C(N)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.47
ALDH1A1 P00352 5/20 0.43
MEP1B Q16820 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
BMP1 P13497 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM5 P08912 1/20 0.35

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
Hydrochloric Acid SCHEMBL1602148 0.99 SPPL2A (0.47) SPPL2AALDH1A1MEP1BTAS2R14HPGD
SCHEMBL1602077 0.92 SPPL2A (0.47) SPPL2AALDH1A1HPGDHTTLMNA
SCHEMBL4347242 0.89 SPPL2A (0.41) SPPL2AALDH1A1MEP1BTAS2R14LMNA
SCHEMBL4165957 0.88 SPPL2A (0.41) SPPL2AALDH1A1MEP1BTAS2R14LMNA
SCHEMBL13950812 0.86 SPPL2A (0.44) SPPL2AALDH1A1LMNAPSEN1PSEN2
SCHEMBL1602297 0.86 SPPL2A (0.44) SPPL2AALDH1A1LMNAPSEN1PSEN2
SCHEMBL1600562 0.86 ALDH1A1 (0.38) SPPL2AALDH1A1MEP1BTAS2R14HPGD
SCHEMBL12734840 0.86 SPPL2A (0.44) SPPL2AALDH1A1LMNAPSEN1PSEN2
SCHEMBL12734577 0.86 SPPL2A (0.44) SPPL2AALDH1A1LMNAPSEN1PSEN2
SCHEMBL12735016 0.86 SPPL2A (0.40) SPPL2AALDH1A1MEP1BTAS2R14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 SPPL2A 93/4885ALDH1A1 1604/4885MEP1B 2332/4885

“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.