Sugi Predict

Sugi Predict / Compounds / SCHEMBL4934875

SCHEMBL4934875

SCHEMBL4934875

NC(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.41
▸ CNR2 P34972 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ APP P05067 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CALCA P06881 1/20 0.37

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
SCHEMBL4151010 0.91 KDM4E (0.41) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL14260581 0.89 TP53 (0.41) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL12415951 0.88 KDM4E (0.42) RPS6KB1CNR2KDM4ELMNAHSP90AA1
SCHEMBL14269685 0.88 KDM4E (0.44) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL14260528 0.88 CNR2 (0.44) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL4152020 0.88 CNR2 (0.40) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL4149996 0.88 CNR2 (0.42) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL14260499 0.86 CNR2 (0.43) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL4923209 0.86 OPRM1 (0.42) CNR2KDM4ELMNAHSP90AA1MAPT
SCHEMBL4917619 0.86 PREP (0.41) CNR2KDM4ELMNAHSP90AA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 — — EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — 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 (2 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-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE RPS6KB1 1009/4885CNR2 4855/4885KDM4E 1618/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE RPS6KB1 1009/4885CNR2 4855/4885KDM4E 1618/4885

“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.