SCHEMBL12398293

SCHEMBL12398293

Cc1ncnn2c([C@]3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAPDH P04406 2/20 0.34
▸ HRAS P01112 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SLC22A1 O15245 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CES2 O00748 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA5 P30532 1/20 0.30
▸ CHRNA7 P36544 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
SCHEMBL10148597 1.00 ALDH1A1 (0.37) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL881372 0.91 ALDH1A1 (0.36) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL14996153 0.91 ALDH1A1 (0.36) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL24791260 0.91 ALDH1A1 (0.36) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL12761852 0.88 ALDH1A1 (0.35) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL10148605 0.88 ALDH1A1 (0.35) ALDH1A1MAPTPOLBMEN1USP2
SCHEMBL24168927 0.83 ALDH1A1 (0.35) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL15084410 0.82 RIPK1 (0.35) —
SCHEMBL12398186 0.82 RIPK1 (0.35) —
SCHEMBL24917290 0.82 MAPT (0.36) ALDH1A1MAPTPOLBMEN1USP2

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-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — 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-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 ALDH1A1 1619/4885MAPT 4330/4885POLB 648/4885

“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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