SCHEMBL23760337

SCHEMBL23760337

CCOc1cccc(F)c1C#Cc1cn(C2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 1.00
▸ NAE1 Q13564 3/20 1.00
▸ UBA3 Q8TBC4 2/20 1.00
▸ UBA1 P22314 1/20 1.00
▸ SAE1 Q9UBE0 1/20 1.00
▸ UBA2 Q9UBT2 1/20 1.00
▸ RNMT O43148 1/20 0.48
▸ ADK P55263 3/20 0.46
▸ DOT1L Q8TEK3 1/20 0.46

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
SCHEMBL18297434 1.00 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL29406144 1.00 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
Hydrochloric Acid SCHEMBL18297575 0.99 CA2 (0.99) CA2NAE1UBA3UBA1SAE1
SCHEMBL29484015 0.94 CA2 (0.89) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297457 0.94 CA2 (0.89) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297670 0.94 CA2 (0.88) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297530 0.92 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL29484005 0.92 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297547 0.92 CA2 (0.85) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297439 0.92 CA2 (0.85) CA2NAE1UBA3UBA1SAE1

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-20210252160-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS IL-2RX 2021-08-19 — — 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-20210252160-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS TNFRSF9, EGFR, NGFR CA2 1484/4885NAE1 2987/4885UBA3 2469/4885

“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.

Send feedback