SCHEMBL3297350

SCHEMBL3297350

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2cc(C(=O)NCCO)ccn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.35
DDR1 Q08345 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ACSS2 Q9NR19 3/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL3305435 0.93 ROCK1 (0.37) ROCK1IRAK4DDR1ALDH1A1TSHR
SCHEMBL3305414 0.93 ROCK1 (0.37) ROCK1IRAK4DDR1ALDH1A1TSHR
SCHEMBL3294888 0.90 IRAK4 (0.33) ROCK1IRAK4
SCHEMBL3301096 0.89 HPGDS (0.40) ROCK1IRAK4
SCHEMBL3298897 0.88 IRAK4 (0.31) IRAK4
SCHEMBL3303924 0.88 IRAK4 (0.32) IRAK4
SCHEMBL3300992 0.85 ROCK1 (0.33) ROCK1IRAK4
SCHEMBL3301125 0.85 ROCK1 (0.34) ROCK1IRAK4
SCHEMBL3295501 0.85 IRAK4 (0.31) IRAK4
SCHEMBL3299971 0.84 ROCK1 (0.41) ROCK1IRAK4ALDH1A1TRPM8PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ROCK1 712/4885IRAK4 2516/4885DDR1 3347/4885

“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.