SCHEMBL720280

SCHEMBL720280

CC(C)(C)c1cc(OP(=O)(Cl)Cl)c2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.42
PTPN1 P18031 2/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 2/20 0.34
METAP2 P50579 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL722146 0.85 GPR84 (0.37) GPR84PTPN1HTTALDH1A1KDM4E
SCHEMBL720775 0.85 NR1I2 (0.38) ALDH1A1HSD17B10METAP2NPC1PLA2G1B
SCHEMBL26522379 0.77 NQO1 (0.47) HTTALDH1A1KDM4EMAPK14METAP2
SCHEMBL719705 0.76 EGLN1 (0.36) GPR84ALDH1A1KDM4EHSD17B10MAPK14
SCHEMBL10208280 0.73 TACR3 (0.32) GPR84HTTALDH1A1KDM4EMAPK14
SCHEMBL29510856 0.73 HTT (0.50) HTTALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL719618 0.73 HTT (0.50) HTTALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL722741 0.71 NR1I2 (0.36) NR1I2
SCHEMBL23479359 0.70 CYP2A6 (0.45) GPR84ALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL22747181 0.69 CYP1A2 (0.59) GPR84ALDH1A1KDM4EHSD17B10NPC1

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 GPR84 1977/4885PTPN1 2649/4885HTT 2589/4885

“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.