SCHEMBL599254

SCHEMBL599254

CC(C)=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GRM1 Q13255 1/20 0.35
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 6/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL30101193 1.00 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17798946 0.87 NPC1 (0.35) GRM1LMNAMAPTNPC1RAB9A
SCHEMBL17798945 0.87 NPC1 (0.35) GRM1LMNAMAPTNPC1RAB9A
SCHEMBL8173444 0.82 MEN1 (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
Uc 781 SCHEMBL29838161 0.81 LMNA (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
Uc 781 SCHEMBL2670342 0.81 LMNA (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL599255 0.79 GRM1 (0.35) GRM1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL30504230 0.79 GRM1 (0.37) GRM1LMNAMAPTNPC1RAB9A
SCHEMBL25709709 0.75 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3034633 0.73 PLA2G7 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 ADRA2A 3542/4885ADRA2B 2888/4885ADRA2C 2768/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 ADRA2A 4459/4885ADRA2B 4281/4885ADRA2C 4132/4885

“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.