SCHEMBL12435190

SCHEMBL12435190

Cc1ccc(S(=O)(=O)N2CC2CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL12416941 0.89 HTR7 (0.41) LMNAMAPT
SCHEMBL2215081 0.89 HTR7 (0.41) LMNAMAPT
SCHEMBL16589448 0.79 POLB (0.42) ALDH1A1KMT2ALMNAGAAHPGD
SCHEMBL7565543 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAGAAHPGD
SCHEMBL7565547 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAGAAHPGD
SCHEMBL11991815 0.76 PSEN1 (0.51) ALDH1A1KMT2ALMNAGAAMCOLN3
SCHEMBL16589446 0.75 NPSR1 (0.36) ALDH1A1KMT2ALMNAGAAMCOLN3
SCHEMBL16220192 0.75 PSEN1 (0.50) ALDH1A1
SCHEMBL4574469 0.74 POLB (0.40) ALDH1A1KMT2ALMNAGAAHPGD
SCHEMBL15015455 0.74 ACHE (0.38) ALDH1A1KMT2ALMNAMCOLN3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546422-B2 Azaindole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2013-10-01 US disclosed
US-8546422-B2 Azaindole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2013-10-01 US disclosed
US-20110178115-A1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-21 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-20110178115-A1 AZAINDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR ALDH1A1 1288/4885KMT2A 2727/4885LMNA 4026/4885

“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.