SCHEMBL10148643

SCHEMBL10148643

CSc1nc(N)c2ncc([C@]3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)n2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY11 Q96G91 1/20 0.37
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HRAS P01112 1/20 0.31
▸ GAPDH P04406 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ LMNA P02545 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
SCHEMBL10149715 1.00 P2RY11 (0.37) P2RY11MAPTALDH1A1KDM4ENPC1
SCHEMBL10186058 0.92 MAPT (0.35) P2RY11MAPTALDH1A1KDM4ENPC1
SCHEMBL12398065 0.92 MAPT (0.35) P2RY11MAPTALDH1A1KDM4ENPC1
SCHEMBL881368 0.92 MAPT (0.35) P2RY11MAPTALDH1A1KDM4ENPC1
SCHEMBL24917290 0.86 MAPT (0.36) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL881416 0.86 MAPT (0.36) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL881794 0.85 ALDH1A1 (0.35) MAPTALDH1A1KDM4ENPC1POLB
SCHEMBL10171929 0.84 NPC1 (0.35) P2RY11MAPTALDH1A1KDM4ENPC1
SCHEMBL881707 0.82 P2RY11 (0.39) P2RY11MAPTALDH1A1KDM4ENPC1
SCHEMBL12243221 0.80 MAPT (0.33) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — 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-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA P2RY11 843/4885MAPT 4506/4885ALDH1A1 1783/4885

“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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