SCHEMBL23538034

SCHEMBL23538034

COC(=O)c1ncsc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ATR Q13535 1/20 0.33
LMNA P02545 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAF1 P04049 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23538290 0.87 KDM4E (0.37) PAX8ALDH1A1LMNAKDM4E
SCHEMBL23205651 0.78 KMT2A (0.35) PAX8MAPK10ALDH1A1ATRNOTUM
SCHEMBL19090187 0.73 KMT2A (0.40) PAX8ALDH1A1ATRNOTUMKDM4E
SCHEMBL4309544 0.70 KMT2A (0.36) MAPK10ALDH1A1ATRKDM4EHTT
SCHEMBL28902500 0.70 TUBB4A (0.39) KDM4EKMT2AL3MBTL1
SCHEMBL16011715 0.70 PAX8 (0.39) PAX8ALDH1A1ATRLMNANOTUM
SCHEMBL22261640 0.69 NPC1 (0.46) NPSR1MAPK10ALDH1A1LMNAKDM4E
SCHEMBL23205654 0.69 KMT2A (0.35) MAPK10ALDH1A1ATRKDM4EKMT2A
SCHEMBL28217306 0.68 NPSR1 (0.41) NPSR1MAPK8MAPK9MAPK10ALDH1A1
SCHEMBL31425968 0.68 TTK (0.34) PAX8NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 PAX8 1980/4885NPSR1 214/4885MAPK8 3408/4885

“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.