SCHEMBL21883348

SCHEMBL21883348

CC1(C)O[C@@H]2[C@H](O1)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@H]2n1ccc2c(Cl)nc(I)nc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL21839711 1.00 NT5E (0.33) NT5EALDH1A1RXFP1PRMT5WDR77
SCHEMBL21839614 0.90 NT5E (0.37) NT5EALDH1A1RXFP1PRMT5WDR77
SCHEMBL21883347 0.90 NT5E (0.37) NT5EALDH1A1RXFP1PRMT5WDR77
SCHEMBL31526129 0.89 RXFP1 (0.33) RXFP1
SCHEMBL21883346 0.84 NT5E (0.32) NT5E
SCHEMBL21839494 0.84 NT5E (0.32) NT5E
SCHEMBL18572819 0.81 PRMT5 (0.34) NT5EALDH1A1RXFP1PRMT5WDR77
SCHEMBL22975448 0.80 ADORA3 (0.39) NT5E
SCHEMBL18572203 0.80 RXFP1 (0.34) NT5EALDH1A1RXFP1PRMT5WDR77
SCHEMBL31526303 0.79 RXFP1 (0.39) NT5ERXFP1PRMT5WDR77

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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885ALDH1A1 587/4885RXFP1 1796/4885

“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.