SCHEMBL3411580

SCHEMBL3411580

O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 1.00
PYGM P11217 1/20 0.50
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX12 P18054 1/20 0.39
ADRA1A P35348 1/20 0.39
TK2 O00142 1/20 0.38
BCHE P06276 1/20 0.37
P2RY6 Q15077 1/20 0.37
P2RY14 Q15391 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
SCHEMBL10659809 1.00 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL3411578 1.00 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL13314168 1.00 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9310751 0.93 TK1 (0.86) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9308657 0.85 TK1 (0.74) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9309443 0.85 TK1 (0.73) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL13102976 0.84 TK1 (0.72) TK1LMNABLMADRA1A
SCHEMBL22382008 0.84 TK1 (0.72) TK1LMNABLMADRA1A
SCHEMBL11187848 0.84 TK1 (0.72) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL11187839 0.84 TK1 (0.72) TK1PYGMLMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4396623-A Carbocyclic analogs of uracil nucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1983-08-02 US claimed
US-9382286-B2 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-9382286-B2 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20140336143-A1 TREATMENT OF EBV AND KHSV INFECTION AND ASSOCIATED ABNORMAL CELLULAR PROLIFERATION GILEAD PHARMASSET LLC (US) 2014-11-13 US disclosed
US-20140336143-A1 TREATMENT OF EBV AND KHSV INFECTION AND ASSOCIATED ABNORMAL CELLULAR PROLIFERATION GILEAD PHARMASSET LLC (US) 2014-11-13 US disclosed
US-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation PHARMASSET, INC. (US) 2010-07-01 US disclosed
US-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation PHARMASSET, INC. (US) 2010-07-01 US disclosed
US-7638502-B2 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation PHARMASSET, INC. (US) 2009-12-29 US disclosed
US-20070197462-A1 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation PHARMASSET, INC. (US) 2007-08-23 US disclosed
US-7211570-B2 Administering 5-substituted uracil-nucleosides or its pharmaceutically acceptable salt or prodrug for therapy of infected with Epstein-Barr virus or Kaposi's sarcoma-associated herpes (\"KHSV\") PHARMASSET, INC. (US) 2007-05-01 US disclosed
US-20030176392-A1 Administering 5-substituted uracil-nucleosides or its pharmaceutically acceptable salt or prodrug for therapy of infected with Epstein-Barr virus or Kaposi's sarcoma-associated herpes (\"KHSV\") EMORY UNIVERSITY 2003-09-18 US disclosed
EP-0418007-A2 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-03-20 EP disclosed
US-4719214-A HERPES VIRUS SOUTHERN RESEARCH INSTITUTE (US) 1988-01-12 US disclosed
US-4396623-A Carbocyclic analogs of uracil nucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1983-08-02 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 (4 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-20030176392-A1 Administering 5-substituted uracil-nucleosides or its pharmaceutically acceptable salt or prodrug for therapy of infected with Epstein-Barr virus or Kaposi's sarcoma-associated herpes (\"KHSV\") UMPS, UNG, TYMP TK1 5/4885PYGM 1497/4885LMNA 2329/4885
US-20070197462-A1 Treatment of EBV and KHSV infection and associated abnormal cellular proliferation UMPS, ENTPD5, TK1 TK1 3/4885PYGM 2479/4885LMNA 1844/4885
US-20140336143-A1 TREATMENT OF EBV AND KHSV INFECTION AND ASSOCIATED ABNORMAL CELLULAR PROLIFERATION UMPS, ENTPD5, TK1 TK1 3/4885PYGM 2479/4885LMNA 1844/4885
US-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation UMPS, ENTPD5, TK1 TK1 3/4885PYGM 2479/4885LMNA 1844/4885

“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.