SCHEMBL2582792

SCHEMBL2582792

CC(=O)O[C@@H]1[C@@H](Br)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
HINT1 P49773 6/20 0.54
ALDH1A1 P00352 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
NT5E P21589 1/20 0.49
GSK3A P49840 2/20 0.49
RPS6KA3 P51812 2/20 0.49
MAPK14 Q16539 2/20 0.49
PNP P00491 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TGM2 P21980 1/20 0.46
FUT5 Q11128 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL8205186 0.92 HPGD (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL3812199 0.92 HPGD (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL13597930 0.92 HPGD (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL5011969 0.90 HINT1 (0.59) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL17198339 0.86 HINT1 (0.56) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL18179095 0.86 HINT1 (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL14559269 0.86 HINT1 (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL11910704 0.86 HINT1 (0.58) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL25407962 0.84 ALDH1A1 (0.68) HPGDHINT1ALDH1A1TAS1R3TAS1R1
SCHEMBL14144174 0.84 ALDH1A1 (0.68) HPGDHINT1ALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
EP-2251015-B1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2013-02-20 EP disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO 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 (4 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 HPGD 1862/4885HINT1 1382/4885ALDH1A1 1466/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH HPGD 3294/4885HINT1 1727/4885ALDH1A1 2416/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP HPGD 2087/4885HINT1 1388/4885ALDH1A1 1128/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 HPGD 1667/4885HINT1 1436/4885ALDH1A1 1367/4885

“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.