Sugi Predict

Sugi Predict / Compounds / SCHEMBL17359606

SCHEMBL17359606

SCHEMBL17359606

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ TNF P01375 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ RNASEL Q05823 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACP1 P24666 1/20 0.38

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
SCHEMBL17359775 1.00 LMNA (0.43) LMNATNFALDH1A1TSHRTDP1
SCHEMBL17359607 0.87 LMNA (0.45) LMNATNFALDH1A1TSHRTDP1
SCHEMBL11985212 0.86 PTPN1 (0.48) LMNATNFL3MBTL1MAPK1PTPN1
SCHEMBL15095567 0.85 PTPN1 (0.48) ALDH1A1TSHRL3MBTL1MAPK1PTPN1
SCHEMBL8394442 0.85 PTPN1 (0.48) ALDH1A1TSHRL3MBTL1MAPK1PTPN1
SCHEMBL8389850 0.85 PTPN1 (0.48) ALDH1A1TSHRL3MBTL1MAPK1PTPN1
SCHEMBL5383449 0.85 PTPN1 (0.48) ALDH1A1TSHRL3MBTL1MAPK1PTPN1
SCHEMBL5383452 0.85 PTPN1 (0.48) ALDH1A1TSHRL3MBTL1MAPK1PTPN1
SCHEMBL18239897 0.84 LMNA (0.47) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL17471464 0.84 PTPN1 (0.44) LMNATNFPTPN1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
WO-2015200219-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 — — WO disclosed
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 (3 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 1903/4885TNF 1583/4885ALDH1A1 2325/4885
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP LMNA 1903/4885TNF 1583/4885ALDH1A1 2325/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B LMNA 1273/4885TNF 3668/4885ALDH1A1 2125/4885

“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.