SCHEMBL719705

SCHEMBL719705

CC(C)C(NP(=O)(Cl)Oc1cc(C(C)(C)C)cc2ccccc12)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.36
GPR84 Q9NQS5 2/20 0.34
TACR3 P29371 1/20 0.34
MMP12 P39900 4/20 0.33
MMP13 P45452 4/20 0.33
CASP3 P42574 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
MBTPS1 Q14703 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
TP53 P04637 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
SCHEMBL722474 0.89 DGAT1 (0.33) EGLN1ALDH1A1MRGPRX4
SCHEMBL10208280 0.88 TACR3 (0.32) GPR84TACR3CASP3ALDH1A1KDM4E
SCHEMBL721569 0.83 CASP3 (0.43) EGLN1CASP3ALDH1A1KDM4EHSD17B10
SCHEMBL10208284 0.78 MEN1 (0.34)
SCHEMBL720280 0.76 GPR84 (0.42) GPR84CASP3ALDH1A1KDM4EHSD17B10
SCHEMBL31355239 0.74 MMP9 (0.45) EGLN1MBTPS1
SCHEMBL722494 0.73 EGLN1 (0.39) EGLN1MMP12MMP13CASP3ALDH1A1
SCHEMBL10208250 0.73 CASP3 (0.40) CASP3ALDH1A1KDM4EHSD17B10TP53
SCHEMBL721386 0.73 TACR3 (0.42) TACR3CASP3ALDH1A1HSD17B10TP53
SCHEMBL721679 0.73 TACR3 (0.42) TACR3CASP3ALDH1A1HSD17B10TP53

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 EGLN1 3778/4885GPR84 1977/4885TACR3 3772/4885

“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.