SCHEMBL3300103

SCHEMBL3300103

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2ccccc2C#N)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
BRPF1 P55201 3/20 0.32
BRD1 O95696 2/20 0.32
HSD11B1 P28845 2/20 0.32
HTR6 P50406 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL3299456 0.87 BRD1 (0.30) BRPF1BRD1HSD11B1
SCHEMBL3363924 0.87 KCNA3 (0.33) HSD11B1HTR6ITGA4
SCHEMBL3299424 0.85 CYP1A2 (0.33) BRPF1BRD1
SCHEMBL3299451 0.84 CCR9 (0.33) BRPF1BRD1HSD11B1HTR6
SCHEMBL3304808 0.83 IRAK4 (0.34) BRPF1BRD1
SCHEMBL3366649 0.82 ITGA4 (0.35) KMT2AHSD11B1HTR6ITGA4HPGD
SCHEMBL3298307 0.82 HSD11B1 (0.32) HSD11B1HTR6
SCHEMBL3297421 0.82 LMNA (0.33) HSD11B1HTR6ITGA4KDM4E
SCHEMBL3300116 0.82 IRAK4 (0.37) BRPF1BRD1
SCHEMBL3298556 0.82 CDC7 (0.36) BRPF1BRD1

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 KMT2A 2087/4885BRPF1 3781/4885BRD1 4328/4885

“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.