SCHEMBL17359602

SCHEMBL17359602

CCCCO[C@H]1[C@@H](F)[C@H](N(/C=C\C(C)=O)C(C)=O)O[C@@]1(COC(=O)c1ccccc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ PRKCA P17252 3/20 0.33
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL17359592 1.00 LMNA (0.33) LMNAPRKCATSHRTDP1L3MBTL1
SCHEMBL17359834 0.89 ABCB1 (0.31) ABCB1
SCHEMBL17359833 0.89 ABCB1 (0.31) ABCB1
SCHEMBL18877289 0.82 ABCB1 (0.30) ABCB1
SCHEMBL17359605 0.80 ABCB1 (0.41) LMNAPRKCATSHRTDP1L3MBTL1
SCHEMBL16144614 0.73 ALDH1A1 (0.33) LMNAPRKCATSHRTDP1ALDH1A1
SCHEMBL18721439 0.71 ALDH1A1 (0.33) LMNAPRKCATSHRTDP1ALDH1A1
SCHEMBL17863951 0.68 MAPT (0.35) PRKCAABCB1
SCHEMBL17359828 0.67 ABCB1 (0.40) ABCB1
SCHEMBL17359596 0.66 ABCB1 (0.33) TSHRTDP1L3MBTL1ABCB1ALDH1A1

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 LMNA 1903/4885PRKCA 1635/4885TSHR 2345/4885

“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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