SCHEMBL17198575

SCHEMBL17198575

B[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C#C)[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.34
SMYD2 Q9NRG4 3/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 2/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
PAX8 Q06710 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
SCHEMBL17198581 0.92 LMNA (0.38) TSHRLMNAKMT2ASMYD2CYP3A4
SCHEMBL18512832 0.85 LMNA (0.39) TSHRLMNAKMT2ASMYD2CYP3A4
SCHEMBL17198577 0.83 NT5E (0.33) SMYD2
SCHEMBL17364280 0.81 TSHR (0.47) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL14176116 0.81 TSHR (0.47) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL13866334 0.81 TSHR (0.47) TSHRLMNAKMT2AALDH1A1CYP2D6
SCHEMBL18503502 0.80 NT5E (0.42)
SCHEMBL17198609 0.80 NT5E (0.42)
SCHEMBL18512780 0.79 LMNA (0.43) TSHRLMNAKMT2ASMYD2CYP3A4
SCHEMBL18503487 0.78 LMNA (0.40) TSHRLMNAKMT2ASMYD2CYP3A4

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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
US-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 US disclosed
WO-2015161137-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-10-22 WO 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 TSHR 3830/4885LMNA 1072/4885KMT2A 356/4885

“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.