SCHEMBL599255

SCHEMBL599255

CC=C(CC)Oc1cc(NC(=S)c2ccsc2C)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.35
ALDH1A1 P00352 6/20 0.33
LMNA P02545 6/20 0.33
KMT2A Q03164 6/20 0.33
MAPT P10636 6/20 0.33
MEN1 O00255 4/20 0.33
ALOX12 P18054 2/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
HTT P42858 2/20 0.31
HPGD P15428 2/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 4/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL17798946 0.81 NPC1 (0.35) GRM1ALDH1A1LMNAKMT2AMAPT
SCHEMBL2670344 0.81 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL17798945 0.81 NPC1 (0.35) GRM1ALDH1A1LMNAKMT2AMAPT
SCHEMBL30101193 0.79 ADRA2A (0.35) GRM1ALDH1A1LMNAKMT2AMAPT
SCHEMBL599254 0.79 ADRA2A (0.35) GRM1ALDH1A1LMNAKMT2AMAPT
SCHEMBL29707125 0.72 GRM1 (0.35) GRM1ALDH1A1LMNAKMT2AMAPT
SCHEMBL30504230 0.70 GRM1 (0.37) GRM1ALDH1A1LMNAKMT2AMAPT
SCHEMBL6822543 0.70 SMN1; SMN2 (0.52) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL8173449 0.67 SMN1; SMN2 (0.33) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6822545 0.66 SYK (0.39) ALDH1A1KMT2AMAPTMEN1POLB

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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 US disclosed
WO-2016033164-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2016-03-03 WO disclosed
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-03-03 US disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 US disclosed
US-9085599-B2 2′allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8895531-B2 2′-fluoronucleoside phosphonates as antiviral agents RFS PHARMA LLC (US) 2014-11-25 US disclosed
EP-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 EP disclosed
US-8575119-B2 2′-chloroacetylenyl substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
EP-0986375-A2 USE OF MKC-442 IN COMBINATION WITH OTHER ANTIVIRAL AGENTS Triangle Pharmaceuticals Inc. (US) 2000-03-22 EP disclosed
WO-2000003998-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-01-27 WO disclosed
EP-0970078-A1 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2000-01-12 EP disclosed
WO-1999066936-A1 USE OF 3'-AZIDO-2',3'-DIDEOXYURIDINE IN COMBINATION WITH FURTHER ANTI-HIV DRUGS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HIV EMORY UNIVERSITY (US) 1999-12-29 WO disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 WO disclosed
EP-0874839-A1 FURAN- AND THIOPHENECARBOTHIOAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE REPLICATION OF HIV-1 AND HIV-1 MUTANTS UNIROYAL CHEMICAL COMPANY, Inc. (US) 1998-11-04 EP disclosed
WO-1998044913-A2 COMPOSITIONS CONTAINING MKC-442 IN COMBINATION WITH OTHER ANTIVIRAL AGENTS TRIANGLE PHARMACEUTICALS, INC. (US) 1998-10-15 WO disclosed
WO-1998041522-A1 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 1998-09-24 WO disclosed
US-5696151-A Compounds useful for the inhibition of the replication of HIV-1 and HIV-1 mutants UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-09 US disclosed
WO-1997019940-A1 FURAN- AND THIOPHENECARBOTHIOAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE REPLICATION OF HIV-1 AND HIV-1 MUTANTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-06-05 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-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 GRM1 4672/4885ALDH1A1 3494/4885LMNA 2797/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 GRM1 4636/4885ALDH1A1 1228/4885LMNA 1931/4885

“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.