SCHEMBL29481979

SCHEMBL29481979

COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cc(F)c(F)cc2F)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HDAC8 Q9BY41 1/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERBB2 P04626 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
AURKB Q96GD4 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2D6 P10635 5/20 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
SCHEMBL14934588 1.00 POLB (0.41) POLBHDAC8GAATP53LMNA
SCHEMBL15464432 0.93 POLB (0.39) POLBHDAC8GAATP53LMNA
SCHEMBL15463758 0.92 POLB (0.39) POLBHDAC8GAATP53LMNA
SCHEMBL20095706 0.92 POLB (0.39) POLBHDAC8GAATP53LMNA
SCHEMBL15465475 0.92 CYP1A2 (0.39) POLBHDAC8GAATP53LMNA
SCHEMBL323257 0.92 POLB (0.39) POLBHDAC8GAATP53LMNA
SCHEMBL30201222 0.91 POLB (0.39) POLBGAATP53LMNAL3MBTL1
SCHEMBL15465002 0.91 POLB (0.39) POLBGAATP53LMNAL3MBTL1
SCHEMBL29481973 0.91 POLB (0.40) POLBLMNACYP1A2CYP3A4CYP2D6
SCHEMBL20485937 0.90 KDM4E (0.42) POLBGAATP53LMNAL3MBTL1

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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 POLB 4466/4885HDAC8 900/4885GAA 1994/4885

“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.