SCHEMBL23487519

SCHEMBL23487519

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2C)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLA1 P09884 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
HINT1 P49773 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
SCHEMBL28719205 0.91 KDM4E (0.59) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL19146280 0.91 KDM4E (0.59) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL22883498 0.91 KDM4E (0.59) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL24222098 0.91 KDM4E (0.59) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL21376544 0.90 KDM4E (0.58) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL20782390 0.90 KDM4E (0.58) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL21637043 0.90 KDM4E (0.58) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL22034209 0.86 KDM4E (0.58) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL24166695 0.86 KDM4E (0.57) KDM4ETAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL18521073 0.86 KDM4E (0.57) KDM4ETAS1R3TAS1R1ALDH1A1HPGD

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-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 US disclosed
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 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 (2 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-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS KDM4E 2160/4885TAS1R3 671/4885TAS1R1 387/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS KDM4E 2160/4885TAS1R3 671/4885TAS1R1 387/4885

“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.