SCHEMBL13787668

SCHEMBL13787668

O=C(OC[C@H]1OC(Br)(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LGALS9 O00182 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ NPC1 O15118 2/20 0.37

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
SCHEMBL15759253 1.00 MAPT (0.56) MAPTALDH1A1POLBMEN1USP2
SCHEMBL15962200 0.89 MAPT (0.45) MAPTALDH1A1POLBMEN1USP2
SCHEMBL11073044 0.85 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL8512702 0.85 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL8512700 0.85 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL9137960 0.85 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL28604390 0.83 MAPT (0.57) MAPTALDH1A1POLBMEN1USP2
SCHEMBL8946446 0.82 MAPT (0.50) MAPTALDH1A1POLBMEN1USP2
SCHEMBL10425581 0.82 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL4962623 0.82 MAPT (0.52) MAPTALDH1A1POLBMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 — — 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-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP MAPT 3893/4885ALDH1A1 1160/4885POLB 1667/4885

“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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