SCHEMBL17861870

SCHEMBL17861870

CC[C@@]1(C(F)F)OC(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34

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
SCHEMBL14929138 0.80 GAA (0.44) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL17863953 0.79 MAPT (0.41) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL17860797 0.79 MAPT (0.41) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL17861873 0.77 POLB (0.41) —
SCHEMBL26268684 0.75 ABCB1 (0.47) GAA
SCHEMBL16640066 0.74 GAA (0.36) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL26823559 0.73 GAA (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL26823569 0.73 GAA (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL26823554 0.73 GAA (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL26824324 0.71 LGALS9 (0.38) HTR3EHTR3BCHRNA7HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-06-07 — — US disclosed
US-9890188-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-02-13 — — US disclosed
US-20160176910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2016-06-23 — — 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-20160176910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 HTR3E 2473/4885HTR3B 1846/4885CHRNA7 4006/4885
US-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 HTR3E 2473/4885HTR3B 1846/4885CHRNA7 4006/4885

“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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