SCHEMBL16414751

SCHEMBL16414751

Cc1ccc(S(=O)(=O)OCCOC2CN(C(=O)O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
PSMD10 O75832 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL30763602 0.91 STAT3 (0.40) STAT3CYP2D6CYP1A2ALDH1A1CTDSP1
SCHEMBL16414881 0.90 CYP2D6 (0.45) STAT3CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL16415382 0.84 KMT2A (0.44) KMT2A
SCHEMBL23089207 0.84 STAT3 (0.38) STAT3CYP2D6CYP1A2CA12CA1
SCHEMBL27098005 0.83 LMNA (0.46) CA1CA9KMT2ALMNA
SCHEMBL21063446 0.83 STAT3 (0.42) STAT3CYP2D6CYP1A2PSMD10ALDH1A1
SCHEMBL26694981 0.82 STAT3 (0.37) STAT3CYP2D6CYP1A2CA12CA1
SCHEMBL21987575 0.82 CYP2D6 (0.55) STAT3CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL26694852 0.81 AGTR2 (0.39) STAT3CYP2D6CYP1A2CA12CA1
SCHEMBL30763594 0.81 STAT3 (0.35) STAT3CYP2D6CYP1A2CA12CA1

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-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 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-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 STAT3 928/4885CYP2D6 4852/4885CYP1A2 4829/4885

“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.