SCHEMBL13694990

SCHEMBL13694990

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C(O)C1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.67
▸ TYMP P19971 3/20 0.64
▸ GSK3A P49840 2/20 0.62
▸ RPS6KA3 P51812 2/20 0.62
▸ MAPK14 Q16539 2/20 0.62
▸ PAX8 Q06710 1/20 0.56
▸ STING1 Q86WV6 2/20 0.55
▸ HPGD P15428 1/20 0.54
▸ HINT1 P49773 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ DPP4 P27487 1/20 0.50
▸ EHMT1 Q9H9B1 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SLC28A1 O00337 1/20 0.50
▸ MAP3K7 O43318 1/20 0.50
▸ SLC28A2 O43868 1/20 0.50
▸ GAPDH P04406 1/20 0.50

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
SCHEMBL15482193 1.00 P2RX3 (0.67) P2RX3TYMPGSK3ARPS6KA3MAPK14
SCHEMBL27250729 0.92 P2RX3 (0.60) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL13012212 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL12964365 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL6933022 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL13062153 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL18249508 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL10001664 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL16707275 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14
Inosine SCHEMBL6748953 0.89 PAX8 (0.69) P2RX3TYMPGSK3ARPS6KA3MAPK14

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-20090227544-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same MBC PHARMA, INC. (US) 2009-09-10 — — 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-20090227544-A1 Bone Targeted Therapeutics and Methods of Making and Using the Same SOST, BPGM, BST2 P2RX3 870/4885TYMP 412/4885GSK3A 3562/4885

“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