Sugi Predict

Sugi Predict / Compounds / SCHEMBL599043

SCHEMBL599043

SCHEMBL599043

Cc1ccc(C)c2c1ccc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.61
▸ HSD17B10 Q99714 6/20 0.61
▸ TSHR P16473 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ CYP1A2 P05177 6/20 0.58
▸ CYP2A6 P11509 4/20 0.58
▸ HIF1A Q16665 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ HPRT1 P00492 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL598703 0.91 HPRT1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL10433287 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL597263 0.81 TSHR (0.50) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL597704 0.80 HSD17B10 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL550683 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL19559058 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL597682 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL30286397 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL597308 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL598719 0.77 CYP1A2 (0.71) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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-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-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
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-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 1623/4885TSHR 4176/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP ALDH1A1 2300/4885HSD17B10 1472/4885TSHR 4434/4885
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 631/4885TSHR 4374/4885
US-20040214844-A1 N4-acylcytosine nucleosides for treatment of viral infections ENTPD5, DUT, PNP ALDH1A1 2002/4885HSD17B10 1057/4885TSHR 4420/4885
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 311/4885TSHR 3766/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B ALDH1A1 2341/4885HSD17B10 1562/4885TSHR 4165/4885

“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.