SCHEMBL139902

SCHEMBL139902

CCCCCCCCOCCCCCCCCCCCO

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
HTT P42858 2/20 0.77
THRB P10828 1/20 0.77
MAPT P10636 1/20 0.77
LMNA P02545 2/20 0.68
TSHR P16473 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HSD17B10 Q99714 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.63
USP2 O75604 1/20 0.54
CES2 O00748 1/20 0.52
ACHE P22303 6/20 0.47

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
SCHEMBL9646500 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL8956073 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2527727 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL314263 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL23014943 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2221085 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL23014835 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL24304662 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL16815923 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT
SCHEMBL427999 1.00 MEN1 (0.77) MEN1KMT2AHTTTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303051-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX INC. (US) 2016-04-05 US disclosed
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2015-11-19 US disclosed
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2014-02-13 US disclosed
US-8569321-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX, INC. (US) 2013-10-29 US disclosed
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2012-03-08 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 (3 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-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP MEN1 1891/4885KMT2A 2791/4885HTT 4129/4885
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP MEN1 1891/4885KMT2A 2791/4885HTT 4129/4885
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF PHOSPHO1, PIK3CA, PNP MEN1 1891/4885KMT2A 2791/4885HTT 4129/4885

“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.