SCHEMBL20754398

SCHEMBL20754398

C[C@]1(OC(=O)c2ccccc2)NO[C@@](COC(=O)c2ccccc2)(C(F)F)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CES2 O00748 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRKCA P17252 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL18879964 0.80 GAA (0.36) GAAALDH1A1LMNAHTR3EHTR3B
SCHEMBL17359539 0.79 ALDH1A1 (0.36) GAAALDH1A1LMNAHTR3EHTR3B
SCHEMBL18877386 0.79 GAA (0.38) GAAALDH1A1LMNAHTR3EHTR3B
SCHEMBL16644530 0.79 ALDH1A1 (0.36) GAAALDH1A1LMNAHTR3EHTR3B
SCHEMBL17359618 0.72 POLB (0.37) GAAALDH1A1HTR3EHTR3BCHRNA7
SCHEMBL17863953 0.71 MAPT (0.41) ALDH1A1LMNAHTR3EHTR3BCHRNA7
SCHEMBL16647588 0.71 ALDH1A1 (0.39) GAAALDH1A1LMNATDP1TSHR
SCHEMBL17860797 0.71 MAPT (0.41) ALDH1A1LMNAHTR3EHTR3BCHRNA7
SCHEMBL16644554 0.71 ALDH1A1 (0.39) GAAALDH1A1LMNATDP1TSHR
SCHEMBL19866627 0.70 ALDH1A1 (0.38) ALDH1A1LMNATDP1TSHRMAPK1

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-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-09-22 — — US disclosed
US-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2019-02-21 — — 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 (2 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-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B GAA 577/4885ALDH1A1 2125/4885CES2 880/4885
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B GAA 577/4885ALDH1A1 2125/4885CES2 880/4885

“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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