SCHEMBL2480916

SCHEMBL2480916

C[C@@]1(F)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](COC(=O)c2ccc(Cl)cc2)O[C@@H]1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UPP1 Q16831 1/20 0.47
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA5 P30532 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ GAPDH P04406 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ GLA P06280 1/20 0.35

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
SCHEMBL2480913 1.00 UPP1 (0.47) UPP1HPGDALDH1A1CHRNB2CHRNA5
SCHEMBL2480919 1.00 UPP1 (0.47) UPP1HPGDALDH1A1CHRNB2CHRNA5
SCHEMBL2481853 0.88 UPP1 (0.47) UPP1HPGDALDH1A1CHRNB2CHRNA5
SCHEMBL13021363 0.88 ALDH1A1 (0.50) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL930473 0.88 ALDH1A1 (0.50) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL24371811 0.88 ALDH1A1 (0.50) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL12482663 0.88 ALDH1A1 (0.50) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL15304485 0.88 ALDH1A1 (0.50) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL16576338 0.88 ALDH1A1 (0.50) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL5679345 0.80 UPP1 (0.47) UPP1HPGDALDH1A1CHRNB2CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 — — US disclosed
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
EP-2671888-A1 3',5'-cyclic nucleoside phosphate analogues Gilead Pharmasset LLC (US) 2013-12-11 — — EP disclosed
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES GILEAD PHARMASSET LLC (US) 2012-12-13 — — US disclosed
EP-2376515-A1 Synthesis of purine nucleosides Pharmasset, Inc. (US) 2011-10-19 — — EP disclosed
US-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-11-04 — — US disclosed
WO-2010075554-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-07-01 — — 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 (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-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP UPP1 29/4885HPGD 476/4885ALDH1A1 2131/4885
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP UPP1 29/4885HPGD 476/4885ALDH1A1 2131/4885

“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.

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