SCHEMBL22434680

SCHEMBL22434680

C=C[C@@H]1C(COP(=O)(S)O[C@H]2[C@@H](O)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(O)S)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.58
▸ TGM2 P21980 1/20 0.54
▸ KRAS P01116 9/20 0.54
▸ IMPDH2 P12268 6/20 0.53
▸ FUT5 Q11128 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ HINT1 P49773 1/20 0.48
▸ IMPDH1 P20839 2/20 0.48

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
SCHEMBL22434574 0.88 IMPDH2 (0.60) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL20763305 0.87 NT5E (0.58) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL22930629 0.86 NT5E (0.51) NT5ETGM2KRASTAS1R3TAS1R1
SCHEMBL22434529 0.84 NT5E (0.56) NT5ETGM2FUT5TAS1R3TAS1R1
SCHEMBL15887373 0.83 NT5E (0.80) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL6316699 0.83 NT5E (0.80) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL1105459 0.83 NT5E (0.80) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL22434525 0.82 NT5E (0.55) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL2315499 0.82 NT5E (0.69) NT5ETGM2KRASIMPDH2FUT5
SCHEMBL17586739 0.82 NT5E (0.69) NT5ETGM2KRASIMPDH2FUT5

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-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 — — 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-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP NT5E 427/4885TGM2 2124/4885KRAS 2252/4885

“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