SCHEMBL5494441

SCHEMBL5494441

CN(CCCCCl)P(=O)(Cl)Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31

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
SCHEMBL9346534 0.82
SCHEMBL14582837 0.79
SCHEMBL409303 0.79 DNM1 (0.48) TSHR
SCHEMBL408278 0.79 DNM1 (0.48) TSHR
SCHEMBL12179096 0.77 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL14849043 0.70
SCHEMBL9343663 0.70
SCHEMBL9342167 0.70
SCHEMBL6187154 0.68
SCHEMBL12208028 0.67 MAPT (0.43) MAPTTSHRLMNATP53HTT

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-7173020-B2 Phosphoramidates and methods therefor PURDUE RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
US-7173020-B2 Phosphoramidates and methods therefor PURDUE RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
US-7173020-B2 Phosphoramidates and methods therefor PURDUE RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
EP-1268493-B1 PHOSPHORAMIDATE PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2006-02-15 EP disclosed
US-20050171060-A1 Phosphoramidates and methods therefor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-04 US disclosed
US-6903081-B2 Phosphoramidates and methods therefor PURDUE RESEARCH FOUNDATION (US) 2005-06-07 US disclosed
EP-1268493-A1 PHOSPHORAMIDATE PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2003-01-02 EP disclosed
US-20020004594-A1 Phosphoramidates and methods therefor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-10 US disclosed
WO-2001074827-A1 PHOSPHORAMIDATE PRODRUGS PURDUE RESEARCH FOUNDATION (US) 2001-10-11 WO 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-20020004594-A1 Phosphoramidates and methods therefor WEE1, HASPIN, WEE2 MAPT 3156/4885TSHR 3813/4885ALDH1A1 4188/4885
US-20050171060-A1 Phosphoramidates and methods therefor WEE1, HASPIN, WEE2 MAPT 3156/4885TSHR 3813/4885ALDH1A1 4188/4885

“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.