SCHEMBL21855475

SCHEMBL21855475

CCOC(=O)Cc1ccncc1/C=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.41
CDK8 P49336 8/20 0.41
TBXAS1 P24557 4/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 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
SCHEMBL24408285 0.90 CCNC (0.51) CCNCCDK8TBXAS1CDK19PKM
SCHEMBL9756945 0.83 CCNC (0.45) CCNCCDK8TBXAS1ALDH1A1KDM4E
SCHEMBL9756944 0.83 CCNC (0.45) CCNCCDK8TBXAS1ALDH1A1KDM4E
SCHEMBL851868 0.81 PTGER3 (0.55) TBXAS1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL851869 0.81 PTGER3 (0.55) TBXAS1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8580162 0.77 PKM (0.43) TBXAS1SMN1; SMN2TDP1PKM
SCHEMBL21855464 0.75 PKM (0.41) TBXAS1SMN1; SMN2TDP1PKM
SCHEMBL5894021 0.75 AOC1 (0.47) TBXAS1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL5800280 0.75 NAMPT (0.51) TBXAS1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL3587236 0.74 PKM (0.43) TBXAS1ALDH1A1SMN1; SMN2TDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CCNC 3198/4885CDK8 1843/4885TBXAS1 2732/4885

“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.