SCHEMBL790223

SCHEMBL790223

Cc1ccc(OP(=S)(Cl)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
ACHE P22303 2/20 0.44
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
TEAD4 Q15561 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL5850244 0.86 CYP3A4 (0.54) CYP3A4TSHRACHELMNATDP1
SCHEMBL790225 0.81 CA1 (0.52) CYP3A4TSHRACHELMNATDP1
SCHEMBL258632 0.80 CYP3A4 (0.58) CYP3A4TSHRACHELMNATDP1
SCHEMBL789906 0.78 MEN1 (0.52) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL5850251 0.77 CYP3A4 (0.50) CYP3A4TSHRACHELMNATDP1
SCHEMBL1691989 0.76 CYP3A4 (0.54) CYP3A4TSHRACHELMNATDP1
SCHEMBL790308 0.76 CYP1A2 (0.40) MEN1KMT2AMAPTNPSR1
SCHEMBL11661650 0.76 CYP3A4 (0.54) CYP3A4TSHRACHELMNATDP1
SCHEMBL1974047 0.76 TSHR (0.54) CYP3A4TSHRACHELMNATDP1
SCHEMBL6691437 0.76 TSHR (0.54) CYP3A4TSHRACHELMNATDP1

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 CYP3A4 4180/4885TSHR 2346/4885ACHE 4764/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CYP3A4 4180/4885TSHR 2346/4885ACHE 4764/4885

“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.