SCHEMBL21925882

SCHEMBL21925882

CC(C)C(=O)Nc1nc2c(nnn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PAX3 P23760 1/20 0.34
▸ FOXO1 Q12778 1/20 0.34
▸ RNASE1 P07998 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ LGALS9 O00182 1/20 0.33
▸ LGALS1 P09382 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS7; LGALS7B P47929 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ HRAS P01112 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32

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
SCHEMBL18510812 0.94 MEN1 (0.40) KDM4EPOLBMEN1USP2KMT2A
SCHEMBL18490686 0.93 MEN1 (0.47) KDM4EPOLBMEN1USP2KMT2A
SCHEMBL27216181 0.93 MEN1 (0.47) KDM4EPOLBMEN1USP2KMT2A
SCHEMBL27251023 0.89 MEN1 (0.45) KDM4EPOLBMEN1USP2KMT2A
SCHEMBL22401432 0.87 MEN1 (0.55) KDM4EPOLBMEN1USP2KMT2A
SCHEMBL22034266 0.84 KDM4E (0.42) KDM4ETAS1R3TAS1R1
SCHEMBL21877963 0.84 KDM4E (0.42) KDM4ETAS1R3TAS1R1
SCHEMBL31401856 0.84 KDM4E (0.52) KDM4EMEN1KMT2ATAS1R3TAS1R1
SCHEMBL18521374 0.82 KDM4E (0.43) KDM4EPOLBTAS1R3TAS1R1LMNA
SCHEMBL18490578 0.82 KDM4E (0.43) KDM4EPOLBTAS1R3TAS1R1LMNA

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-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 — — US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 — — 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 (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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 KDM4E 2514/4885POLB 3287/4885MEN1 1929/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS KDM4E 2453/4885POLB 2984/4885MEN1 1416/4885

“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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