SCHEMBL22326689

SCHEMBL22326689

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.66
▸ P2RY1 P47900 4/20 0.60
▸ P2RY2 P41231 3/20 0.60
▸ SRC P12931 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ P2RX1 P51575 1/20 0.60
▸ P2RX3 P56373 1/20 0.60
▸ P2RX4 Q99571 1/20 0.60
▸ P2RX2 Q9UBL9 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TGM2 P21980 1/20 0.60
▸ NT5E P21589 1/20 0.60
▸ RNASEL Q05823 6/20 0.59
▸ DTYMK P23919 2/20 0.59
▸ TAS1R3 Q7RTX0 2/20 0.58
▸ TAS1R1 Q7RTX1 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ LDHA P00338 1/20 0.58

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
SCHEMBL18510894 0.95 FUT5 (0.61) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18510908 0.95 FUT5 (0.61) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22381773 0.95 FUT5 (0.61) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521985 0.95 FUT5 (0.61) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521628 0.94 FUT5 (0.58) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22326739 0.94 FUT5 (0.58) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18520836 0.94 FUT5 (0.58) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521330 0.94 FUT5 (0.58) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521309 0.94 FUT5 (0.58) FUT5P2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18510901 0.94 FUT5 (0.58) FUT5P2RY1P2RY2SRCSMN1; SMN2

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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 — — US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 FUT5 4450/4885P2RY1 37/4885P2RY2 83/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 FUT5 4192/4885P2RY1 30/4885P2RY2 33/4885

“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