SCHEMBL24829643

SCHEMBL24829643

CSC(=S)O[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ STING1 Q86WV6 9/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL10459759 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL19880309 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL19880312 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL10458995 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL24829642 0.88 STING1 (0.45) STING1PDE3APDE3B
SCHEMBL23350694 0.86 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL25496217 0.86 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL19880310 0.86 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL19509409 0.86 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL18954971 0.86 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ETAS1R3

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-20230203078-A1 SYNTHESIS OF 3'N NUCLEOSIDES THROUGH OXIME INTERMEDIATES AND RELATED COMPOUNDS Janssen Biopharma, Inc. 2023-06-29 — — US disclosed
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 — — 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-20230203078-A1 SYNTHESIS OF 3'N NUCLEOSIDES THROUGH OXIME INTERMEDIATES AND RELATED COMPOUNDS NT5C3B, PNP, NME1 ALDH1A1 2174/4885MEN1 1886/4885KMT2A 1261/4885
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 ALDH1A1 2726/4885MEN1 4788/4885KMT2A 3647/4885

“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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