SCHEMBL16169489

SCHEMBL16169489

[2H]c1cn([C@@H]2O[C@H](CC)[C@@H](C)[C@@]2(C)OC(=O)c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.35
P2RY2 P41231 1/20 0.34
P2RY4 P51582 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.32
DUT P33316 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLA1 P09884 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17972436 0.82 P2RY14 (0.36) P2RY2P2RY4CYP3A4CYP2C9POLB
SCHEMBL16125703 0.81 CYP3A4 (0.41) RNASE1P2RY2P2RY4CYP3A4CYP2C9
SCHEMBL14929281 0.80 P2RY2 (0.40) RNASE1P2RY2P2RY4CYP3A4CYP2C9
SCHEMBL17972423 0.78 P2RY2 (0.44) P2RY2P2RY4CYP3A4CYP2C9POLA1
SCHEMBL12939375 0.78 P2RY2 (0.44) P2RY2P2RY4CYP3A4CYP2C9POLA1
SCHEMBL800360 0.78 CYP3A4 (0.41) RNASE1P2RY2P2RY4CYP3A4CYP2C9
SCHEMBL15497742 0.77 NT5E (0.40) RNASE1P2RY2P2RY4CYP3A4CYP2C9
SCHEMBL18118969 0.77 NT5E (0.40) RNASE1P2RY2P2RY4CYP3A4CYP2C9
SCHEMBL10238945 0.76 P2RY2 (0.36) RNASE1P2RY2P2RY4CYP3A4CYP2C9
SCHEMBL17972479 0.75 P2RY2 (0.40) P2RY2P2RY4CYP2C9POLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447132-B2 Highly active nucleoside derivative for the treatment of HCV ACHILLION PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
US-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT ACHILLION PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-20140309189-A1 HIGHLY ACTIVE NUCLEOSIDE DERIVATIVE FOR THE TREATMENT OF HCV ACHILLION PHARMACEUTICALS, INC. (US) 2014-10-16 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 (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-20160016986-A1 STABILIZED NUCLEOTIDES FOR MEDICAL TREATMENT NUDT1, DUT, ADAR RNASE1 43/4885P2RY2 315/4885P2RY4 249/4885
US-20140309189-A1 HIGHLY ACTIVE NUCLEOSIDE DERIVATIVE FOR THE TREATMENT OF HCV SLC28A1, SLC28A2, NUDT1 RNASE1 49/4885P2RY2 1406/4885P2RY4 811/4885

“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.