SCHEMBL598689

SCHEMBL598689

COc1ccc(C(=O)[C@]2(n3cc(F)c(N)nc3=O)C=C[C@@H](CO)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCK P27707 2/20 0.39
EP300 Q09472 5/20 0.35
ALB P02768 1/20 0.34
MAPKAPK2 P49137 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
CLK1 P49759 1/20 0.32
RAB9A P51151 1/20 0.32
KLK7 P49862 1/20 0.32
KLK14 Q9P0G3 1/20 0.32
KLK5 Q9Y337 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
F2 P00734 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ELANE P08246 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
SCHEMBL598439 0.91 ALB (0.36) DCKEP300ALB
SCHEMBL599496 0.90 DCK (0.37) DCKEP300ALBSMN1; SMN2CDK2
SCHEMBL599086 0.89 EP300 (0.37) EP300ALB
SCHEMBL598272 0.89 DCK (0.35) DCKEP300ALB
SCHEMBL597635 0.89 ALB (0.35) EP300ALB
SCHEMBL599309 0.88 ALB (0.33) EP300ALBKDM4E
SCHEMBL599575 0.85 CDK2 (0.36) DCKEP300ALBALDH1A1SMN1; SMN2
SCHEMBL597780 0.83 ALB (0.39) EP300ALB
SCHEMBL598541 0.82 DCK (0.37) DCKALBALDH1A1SMN1; SMN2KMT2A
SCHEMBL599040 0.82 DCK (0.42) DCKALBALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-7105527-B2 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2006-09-12 US disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US 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-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP DCK 85/4885EP300 1565/4885ALB 1601/4885

“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.