SCHEMBL790225

SCHEMBL790225

COc1ccc(OP(=S)(Cl)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
MAPK1 P28482 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL11805977 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL790223 0.81 CYP3A4 (0.54) CA1CA2CA9ACHETDP1
SCHEMBL789906 0.78 MEN1 (0.52) CA1CA2CA9ALDH1A1NPSR1
SCHEMBL16998320 0.78 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL643849 0.76 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL790308 0.76 CYP1A2 (0.40) MAPTNPSR1NPC1RAB9AHPGD
SCHEMBL9621857 0.76 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL11806179 0.76 MAPT (0.44) CA1CA2CA9TDP1MAPK1
SCHEMBL11669925 0.76 MAPK1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL789902 0.75 SRC (0.46) TDP1KDM4EL3MBTL1HPGDCA4

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 9 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-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-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-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
WO-2012040127-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120071434-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 (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 CA1 4871/4885CA2 4676/4885CA7 4726/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CA1 4871/4885CA2 4676/4885CA7 4726/4885

“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.