SCHEMBL722180

SCHEMBL722180

CC(C)[C@H](NP(=O)(Cl)Oc1cccc2ccccc12)C(=O)O[C@@H](C)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 6/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP3 P42574 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PGR P06401 1/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CASP8 Q14790 1/20 0.33
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRB3 P13945 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL722148 0.86 SLC6A4 (0.39) BTN3A1KMT2ACASP3ALDH1A1PGR
SCHEMBL721567 0.86 KMT2A (0.40) BTN3A1KMT2ACASP3ALDH1A1PGR
SCHEMBL721679 0.83 TACR3 (0.42) BTN3A1MEN1KMT2ACASP3ALDH1A1
SCHEMBL721386 0.83 TACR3 (0.42) BTN3A1MEN1KMT2ACASP3ALDH1A1
SCHEMBL10208250 0.81 CASP3 (0.40) BTN3A1CASP3ALDH1A1PGRGAA
SCHEMBL721569 0.80 CASP3 (0.43) BTN3A1KMT2ACASP3ALDH1A1PGR
SCHEMBL10208224 0.78 ELANE (0.41) MEN1KMT2ACASP3ALDH1A1GAA
SCHEMBL20305851 0.78 ELANE (0.41) MEN1KMT2ACASP3ALDH1A1GAA
SCHEMBL722142 0.77 MEN1 (0.41) MEN1KMT2ACASP3ALDH1A1PGR
SCHEMBL721562 0.77 MEN1 (0.39) BTN3A1MEN1KMT2ACASP3ALDH1A1

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 10 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-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
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
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
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
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 BTN3A1 4601/4885MEN1 1740/4885KMT2A 3637/4885

“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.