SCHEMBL789912

SCHEMBL789912

CC(C)OC(=O)[C@H](C)NP(=S)(Cl)Oc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
BTN3A1 O00481 2/20 0.42
MMP2 P08253 1/20 0.39
OGG1 O15527 1/20 0.39
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.37
NR2E1 Q9Y466 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NCEH1 Q6PIU2 1/20 0.36
CARM1 Q86X55 1/20 0.36

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
SCHEMBL28544968 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL16553952 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL789890 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL23507756 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL723036 0.88 BTN3A1 (0.45) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL723035 0.88 BTN3A1 (0.45) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL30675662 0.88 BTN3A1 (0.45) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL15622672 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL790316 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL23378011 0.84 BTN3A1 (0.45) ALDH1A1HSD17B10PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 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 (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-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885HSD17B10 4536/4885PGR 2198/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885HSD17B10 4536/4885PGR 2198/4885

“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.