SCHEMBL790562

SCHEMBL790562

CC(C)OC(=O)[C@@H](NP(=S)(Cl)Oc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 5/20 0.42
ELANE P08246 2/20 0.38
PRTN3 P24158 2/20 0.38
MMP9 P14780 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 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
SCHEMBL784413 0.88 BTN3A1 (0.52) BTN3A1ELANEHTT
SCHEMBL15052723 0.88 BTN3A1 (0.52) BTN3A1ELANEHTT
SCHEMBL17198445 0.88 BTN3A1 (0.52) BTN3A1ELANEHTT
SCHEMBL31355405 0.85 BTN3A1 (0.45) BTN3A1ELANEPRTN3MEN1KMT2A
SCHEMBL26567942 0.81 BTN3A1 (0.46) BTN3A1ELANEPRTN3MEN1KMT2A
SCHEMBL790348 0.79 BTN3A1 (0.50) BTN3A1ELANEL3MBTL1KMT2A
SCHEMBL23391280 0.79 MEN1 (0.40) BTN3A1ELANEMEN1KMT2AALDH1A1
SCHEMBL15055604 0.79 MEN1 (0.40) BTN3A1ELANEMEN1KMT2AALDH1A1
SCHEMBL784174 0.76 BTN3A1 (0.43) BTN3A1ELANEPRTN3ATML3MBTL1
SCHEMBL16566342 0.76 BTN3A1 (0.54) BTN3A1ELANEL3MBTL1MEN1KMT2A

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 BTN3A1 3215/4885ELANE 1558/4885PRTN3 595/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP BTN3A1 3215/4885ELANE 1558/4885PRTN3 595/4885

“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.