SCHEMBL17359597

SCHEMBL17359597

CC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@](F)(COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@]1(C)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PRKCA P17252 2/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA5 P30532 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ABCB1 P08183 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
SCHEMBL15841134 0.91 GAA (0.33) ALDH1A1GAATSHRCHRNA7MEN1
SCHEMBL17359531 0.84 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL16377088 0.81 GAA (0.31) GAATSHR
SCHEMBL16144614 0.80 ALDH1A1 (0.33) ALDH1A1TSHRLMNATDP1PRKCA
SCHEMBL15841115 0.79 — —
SCHEMBL16144613 0.78 ALDH1A1 (0.40) ALDH1A1GAALMNA
SCHEMBL16847999 0.74 ALDH1A1 (0.38) ALDH1A1GAATSHRLMNANPC1
SCHEMBL18879898 0.74 GAA (0.31) GAATSHR
SCHEMBL18879900 0.74 GAA (0.30) GAATSHR
SCHEMBL16377091 0.73 ALDH1A1 (0.41) ALDH1A1GAATSHRNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ALDH1A1 2325/4885SMN1; SMN2 3541/4885GAA 535/4885

“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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