SCHEMBL23867569

SCHEMBL23867569

CC(C)c1csc(C(O)c2c[nH]c3c(C(=O)O)cccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PARP14 Q460N5 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2B P67870 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CSNK2A3 Q8NEV1 1/20 0.32
▸ NR4A1 P22736 1/20 0.31

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
SCHEMBL23551124 0.89 KDM4E (0.42) AHRHTTKDM4EGAAKMT2A
SCHEMBL23551058 0.78 KMT2A (0.44) AHRHTTSMN1; SMN2KDM4ENPC1
SCHEMBL28193901 0.76 HTT (0.52) HTTSMN1; SMN2KDM4ENPC1GAA
SCHEMBL23867616 0.67 AHR (0.46) AHRHTTKDM4EKMT2AALDH1A1
SCHEMBL23867567 0.67 MAPT (0.54) AHRHTTKDM4EGAAKMT2A
SCHEMBL2811213 0.66 HTT (0.59) HTTSMN1; SMN2KDM4ENPC1GAA
SCHEMBL29415445 0.66 HTT (0.59) HTTSMN1; SMN2KDM4ENPC1GAA
SCHEMBL31023147 0.65 HAT1 (0.49) HTTSMN1; SMN2KDM4EKMT2APARP14
SCHEMBL12748340 0.65 HAT1 (0.49) HTTSMN1; SMN2KDM4EKMT2APARP14
SCHEMBL24075950 0.63 KDM4E (0.55) HTTKDM4EGAAKMT2APARP14

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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 — — 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 AHR 1/4885HTT 377/4885SMN1; SMN2 4815/4885

“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.

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