Sugi Predict

Sugi Predict / Compounds / SCHEMBL789859

SCHEMBL789859

SCHEMBL789859

CC(=O)OCC(C)(C)COC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SERPINE1 P05121 1/20 0.34
▸ ALOX15 P16050 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ TBXA2R P21731 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL14627793 0.84 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10SERPINE1
SCHEMBL11758824 0.81 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10SERPINE1
SCHEMBL16606259 0.79 — —
SCHEMBL18908749 0.79 ALDH1A1 (0.33) ALDH1A1SERPINE1
SCHEMBL13134458 0.78 ALDH1A1 (0.34) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL2916859 0.77 MMP8 (0.38) ALDH1A1TSHRLMNAHSD17B10SERPINE1
SCHEMBL5692007 0.76 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10SERPINE1
SCHEMBL20825380 0.75 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10SERPINE1
SCHEMBL6879319 0.74 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10SERPINE1
SCHEMBL10150744 0.74 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856284-B2 Solid forms of a thiophosphoramidate nucleotide prodrug ALIOS BIOPHARMA, INC. (US) 2018-01-02 — — US disclosed
US-20170204313-A1 ANTIFOG COATING COMPOSITION AND METHOD OF MAKING THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2017-07-20 — — US disclosed
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2017-01-05 — — US disclosed
US-20160318969-A1 SOLID FORMS OF A THIOPHOSPHORAMIDATE NUCLEOTIDE PRODRUG VERTEX PHARMACEUTICALS INCORPORATED 2016-11-03 — — US disclosed
US-9394330-B2 Solid forms of a thiophosphoramidate nucleotide prodrug ALIOS BIOPHARMA, INC. (US) 2016-07-19 — — US disclosed
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 — — US disclosed
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 — — US disclosed
US-20150175647-A1 SOLID FORMS OF A THIOPHOSPHORAMIDATE NUCLEOTIDE PRODRUG VERTEX PHARMACEUTICALS INCORPORATED 2015-06-25 — — US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 — — US disclosed
US-8916538-B2 Solid forms of a thiophosphoramidate nucleotide prodrug VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 — — US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 — — US disclosed
US-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2014-10-09 — — US disclosed
US-20140154210-A9 Solid Forms of a Thiophosphoramidate Nucleotide Prodrug VERTEX PHARMACEUTICALS INCORPORATED 2014-06-05 — — US disclosed
US-20130266538-A1 Solid Forms of a Thiophosphoramidate Nucleotide Prodrug VERTEX PHARMA (US) 2013-10-10 — — US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — 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 (9 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-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP ALDH1A1 2755/4885TSHR 2858/4885LMNA 1635/4885
US-20140154210-A9 Solid Forms of a Thiophosphoramidate Nucleotide Prodrug TPMT, NSUN2, MTAP ALDH1A1 835/4885TSHR 1413/4885LMNA 1443/4885
US-20160318969-A1 SOLID FORMS OF A THIOPHOSPHORAMIDATE NUCLEOTIDE PRODRUG TPMT, NSUN2, MTAP ALDH1A1 835/4885TSHR 1413/4885LMNA 1443/4885
US-20130266538-A1 Solid Forms of a Thiophosphoramidate Nucleotide Prodrug TPMT, NSUN2, MTAP ALDH1A1 835/4885TSHR 1413/4885LMNA 1443/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885TSHR 2346/4885LMNA 2735/4885
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP ALDH1A1 2755/4885TSHR 2858/4885LMNA 1635/4885
US-20150175647-A1 SOLID FORMS OF A THIOPHOSPHORAMIDATE NUCLEOTIDE PRODRUG TPMT, MTAP, NSUN2 ALDH1A1 912/4885TSHR 1269/4885LMNA 1515/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 ALDH1A1 2210/4885TSHR 3446/4885LMNA 2798/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885TSHR 2346/4885LMNA 2735/4885

“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.