SCHEMBL721386

SCHEMBL721386

COC(=O)C(NP(=O)(Cl)Oc1cccc2ccccc12)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
CASP3 P42574 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSD P07339 1/20 0.39
BTN3A1 O00481 3/20 0.39
OGG1 O15527 1/20 0.39
CYP2D6 P10635 4/20 0.38
CYP1A2 P05177 3/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2B P41595 3/20 0.38
SIGMAR1 Q99720 3/20 0.38

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
SCHEMBL721679 1.00 TACR3 (0.42) TACR3ALDH1A1MAPK1HSD17B10PGR
SCHEMBL721569 0.89 CASP3 (0.43) ALDH1A1MAPK1HSD17B10PGRGAA
SCHEMBL12274119 0.88 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10PGRGAA
SCHEMBL30628342 0.88 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10PGRGAA
SCHEMBL22582156 0.88 ALDH1A1 (0.43) ALDH1A1MAPK1HSD17B10PGRGAA
SCHEMBL10208250 0.88 CASP3 (0.40) ALDH1A1MAPK1HSD17B10PGRGAA
SCHEMBL20305851 0.87 ELANE (0.41) ALDH1A1GAACASP3MEN1KMT2A
SCHEMBL721567 0.87 KMT2A (0.40) ALDH1A1MAPK1HSD17B10PGRGAA
SCHEMBL10208224 0.87 ELANE (0.41) ALDH1A1GAACASP3MEN1KMT2A
SCHEMBL721561 0.86 MEN1 (0.39) ALDH1A1MAPK1HSD17B10PGRGAA

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-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 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 (1 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP TACR3 3772/4885ALDH1A1 4139/4885MAPK1 3318/4885

“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.