SCHEMBL598203

SCHEMBL598203

Cc1ccc2cc3ccc4c5ccccc5ccc4c3cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HSD17B10 Q99714 4/20 0.59
CYP1B1 Q16678 2/20 0.59
HIF1A Q16665 1/20 0.59
CYP2A6 P11509 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
CYP1A2 P05177 8/20 0.55
HPGD P15428 3/20 0.55
HPRT1 P00492 3/20 0.52
MAOA P21397 2/20 0.45
TSHR P16473 1/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
MAPT P10636 2/20 0.43
CYP1A1 P04798 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL598440 1.00 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL1760695 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL1760792 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL597705 0.94 CYP2A6 (0.64) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL598691 0.90 CYP2A6 (0.58) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL598782 0.90 HPRT1 (0.64) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL28996719 0.90 HPRT1 (0.64) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL30540087 0.88 CYP2A6 (0.65) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL216959 0.88 CYP2A6 (0.65) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL1801479 0.88 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 US disclosed
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2009-07-09 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-7105527-B2 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2006-09-12 US disclosed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
US-6908924-B2 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts PHARMASSET, INC. (US) 2005-06-21 US disclosed
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections GILEAD PHARMASSET LLC 2004-10-28 US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 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 (6 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B ALDH1A1 2325/4885HSD17B10 1623/4885CYP1B1 1842/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP ALDH1A1 2300/4885HSD17B10 1472/4885CYP1B1 1924/4885
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA ALDH1A1 645/4885HSD17B10 631/4885CYP1B1 472/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP ALDH1A1 2002/4885HSD17B10 1057/4885CYP1B1 1540/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS ALDH1A1 14/4885HSD17B10 311/4885CYP1B1 871/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B ALDH1A1 2341/4885HSD17B10 1562/4885CYP1B1 1732/4885

“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.