SCHEMBL722741

SCHEMBL722741

CC(C)(C)c1cc(OOP(=O)(Cl)Cl)c2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2C19 P33261 1/20 0.31
PON1 P27169 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
TDO2 P48775 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.86 GPR84 (0.37) NR1I2
SCHEMBL720775 0.85 NR1I2 (0.38) NR1I2CA1CA2CA9CYP2C19
SCHEMBL20043184 0.75 TDO2 (0.44) NR1I2CA1CA2CA9NR1H4
SCHEMBL720280 0.71 GPR84 (0.42) NR1I2
SCHEMBL12205411 0.70 NR1I2 (0.36) NR1I2CA1CA2CA9CYP2C19
SCHEMBL722474 0.69 DGAT1 (0.33) CA1CA2CYP2C19NR1H4MEN1
SCHEMBL20047487 0.65 TDO2 (0.39) NR1H4TDO2MEN1KMT2A
Benzoquinone SCHEMBL10586825 0.64 NR1I2 (0.49) NR1I2CA1CA2CA9PON1
SCHEMBL16158434 0.64 NR1I2 (0.41) NR1I2CA1CA2CA9CYP2C19
SCHEMBL20043182 0.64 KCNH2 (0.42) NR1I2PON1MEN1KMT2A

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 NR1I2 3082/4885CA1 4165/4885CA2 4123/4885

“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.