SCHEMBL22200880

SCHEMBL22200880

CC1CC2CN(S(C)(=O)=O)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.35
ACHE P22303 1/20 0.34
JAK1 P23458 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.31
TSHR P16473 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
SCHEMBL16261384 0.82 POLB (0.46) KDM4EALDH1A1PAX8ACHEMEN1
SCHEMBL15867017 0.82 POLB (0.46) KDM4EALDH1A1PAX8ACHEMEN1
SCHEMBL945538 0.81
SCHEMBL22870065 0.78 TP53 (0.34) KDM4EALDH1A1MAPTPAX8JAK1
SCHEMBL22870070 0.78 TP53 (0.34) KDM4EALDH1A1MAPTPAX8JAK1
SCHEMBL24634254 0.76 ACHE (0.39) KDM4EALDH1A1MAPTPAX8ACHE
SCHEMBL16478638 0.76 ACHE (0.39) KDM4EALDH1A1MAPTPAX8ACHE
SCHEMBL16472376 0.76 ACHE (0.39) KDM4EALDH1A1MAPTPAX8ACHE
SCHEMBL20620971 0.75 PAX8 (0.33) ALDH1A1PAX8JAK1TP53
SCHEMBL20760334 0.75 TSHR (0.34) PAX8JAK1MEN1KMT2ATSHR

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-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 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-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 KDM4E 771/4885ALDH1A1 819/4885MAPT 3567/4885

“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.