SCHEMBL21648046

SCHEMBL21648046

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OCC3C[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O3)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.61
▸ FUT5 Q11128 1/20 0.59
▸ NT5E P21589 1/20 0.59
▸ P2RY2 P41231 1/20 0.57
▸ P2RY4 P51582 1/20 0.57
▸ P2RY6 Q15077 1/20 0.57
▸ IMPDH2 P12268 5/20 0.57
▸ RNASEL Q05823 3/20 0.56
▸ KRAS P01116 2/20 0.55
▸ TAS1R3 Q7RTX0 2/20 0.55
▸ TAS1R1 Q7RTX1 2/20 0.55
▸ IMPDH1 P20839 1/20 0.55
▸ POLB P06746 1/20 0.54

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
SCHEMBL19448916 1.00 TGM2 (0.61) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL19185923 0.94 TGM2 (0.57) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL25552773 0.94 TGM2 (0.60) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL18937285 0.94 FUT5 (0.55) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL22142885 0.93 TGM2 (0.57) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL18320601 0.91 NT5E (0.72) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL23477028 0.90 FUT5 (0.58) TGM2FUT5NT5EP2RY2P2RY4
SCHEMBL19186042 0.90 RNASEL (0.69) RNASEL
SCHEMBL18937290 0.90 RNASEL (0.69) RNASEL
SCHEMBL23477159 0.90 RNASEL (0.56) TGM2FUT5RNASEL

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-20200330556-A1 Methods for Administering STING Agonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 — — US disclosed
EP-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 — — EP 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-20200330556-A1 Methods for Administering STING Agonists STING1, CGAS, TLR9 TGM2 3197/4885FUT5 4061/4885NT5E 393/4885

“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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