SCHEMBL2555484

SCHEMBL2555484

COC[C@@H](O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 6/20 0.51
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
AGER Q15109 1/20 0.43
MPO P05164 1/20 0.43
TPO P07202 1/20 0.43
EPX P11678 1/20 0.43
DAPK1 P53355 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CDK2 P24941 3/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40

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
SCHEMBL2555167 1.00 MGMT (0.51) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14659541 0.90 MGMT (0.48) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14963617 0.89 MGMT (0.51) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8898448 0.89 MGMT (0.51) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14659477 0.84 HSP90AB1 (0.49) CDK2CDK1CCNB1HPRT1CCNE1
SCHEMBL14955845 0.84 MGMT (0.42) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14955846 0.84 MGMT (0.42) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL25500746 0.83 MGMT (0.55) MGMTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16131314 0.80 CCNE1 (0.57) CYP3A4ALDH1A1CDK2CDK1CCNB1
SCHEMBL2552058 0.80 CCNE1 (0.57) CYP3A4ALDH1A1CDK2CDK1CCNB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 US disclosed
US-9475832-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-25 US disclosed
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2015-03-19 US disclosed
US-8846643-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-30 US disclosed
EP-2558466-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS The Regents of the University of California (US) 2013-02-20 EP disclosed
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-31 US disclosed
WO-2011130557-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-20 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 (3 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-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP MGMT 1385/4885CYP3A4 1443/4885CYP1A2 3184/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP MGMT 1385/4885CYP3A4 1443/4885CYP1A2 3184/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP MGMT 1385/4885CYP3A4 1443/4885CYP1A2 3184/4885

“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.