SCHEMBL461696

SCHEMBL461696

CC1CC(c2ccco2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 6/20 0.36

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
SCHEMBL18099888 0.73 TSHR (0.43) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5936332 0.73 TSHR (0.43) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6288848 0.73 TSHR (0.43) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21580191 0.69 CHRM5 (0.39) ALDH1A1KMT2APOLBMAPTTDP1
SCHEMBL17860841 0.68 MAPT (0.46) ALDH1A1KMT2AMAPTNPSR1GAA
SCHEMBL9712225 0.68 POLB (0.44) ALDH1A1KMT2APOLBMAPTTDP1
SCHEMBL6285030 0.68 ALDH1A1 (0.42) ALDH1A1KMT2APOLBMAPTTDP1
SCHEMBL9141580 0.67
SCHEMBL31634550 0.67 ALDH1A1 (0.47) ALDH1A1KMT2APOLBMAPTTDP1
SCHEMBL11689734 0.67 MAPT (0.46) ALDH1A1KMT2APOLBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106065-A1 Methods of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D- glucuitol compounds in combination therapy JACOB GARY S 2006-05-18 US claimed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
US-20130344476-A1 HEPATITIS C VIRUS VARIANTS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-26 US disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8501450-B2 Hepatitis C virus variants VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 US disclosed
US-20130195798-A1 COMBINATION THERAPY FOR TREATMENT OF VIRAL INFECTIONS THE CHANCELLORS, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2013-08-01 US disclosed
EP-1951748-B1 HEPATITIS C VIRUS VARIANTS VERTEX PHARMA (US) 2013-07-24 EP disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
EP-1007058-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. Searle & Co. (US) 2000-06-14 EP disclosed
WO-1999040916-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-08-19 WO disclosed
WO-1998035685-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS IN COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE AND CO. (US) 1998-08-20 WO disclosed
EP-0386219-A4 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES 1991-11-13 EP disclosed
EP-0386219-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-09-12 EP disclosed
EP-0386219-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-09-12 EP disclosed
WO-1990001930-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-03-08 WO disclosed
WO-1990001930-A1 METHOD OF TREATING INFLAMMATION IN MAMMALS UTILIZING KETOBUTYROLACTONES AND FURYLBUTYROLACTONES THERACEL CORPORATION (US) 1990-03-08 WO disclosed
US-4883813-A Method of treating inflammation in mammals utilizing ketobutyrolactones and furylbutyrolactones AMERICAN BIOTECHNOLOGY COMPANY (US) 1989-11-28 US disclosed
US-4883813-A Method of treating inflammation in mammals utilizing ketobutyrolactones and furylbutyrolactones AMERICAN BIOTECHNOLOGY COMPANY (US) 1989-11-28 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD ALDH1A1 2218/4885KMT2A 3611/4885POLB 2945/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 2639/4885KMT2A 3519/4885POLB 2212/4885
US-20130195798-A1 COMBINATION THERAPY FOR TREATMENT OF VIRAL INFECTIONS EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 2476/4885KMT2A 2427/4885POLB 134/4885
US-20060106065-A1 Methods of treating hepatitis virus infections with N-substituted-1,5-dideoxy-1,5-imino-D- glucuitol compounds in combination therapy HAVCR2, DERA, UGGT1 ALDH1A1 960/4885KMT2A 4771/4885POLB 1995/4885

“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.