SCHEMBL5363394

SCHEMBL5363394

CCOP(=O)(OCC)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
HSD17B10 Q99714 1/20 0.52
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAM9 Q13443 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 2/20 0.37
ACHE P22303 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL3628330 0.92 TSHR (0.44) TSHRHSD17B10MMP9MMP1MMP3
SCHEMBL11127876 0.86 LPAR3 (0.40) TSHRHSD17B10MMP9MMP1MMP3
SCHEMBL11128583 0.85 CA12 (0.47) TSHRHSD17B10MMP9MMP1MMP3
SCHEMBL12230161 0.81 TSHR (0.48) TSHRHSD17B10MMP9MMP1MMP3
SCHEMBL28339772 0.78 CA1 (0.59) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL7872706 0.75 POLB (0.41) TSHRKDM4ELMNANPSR1MEN1
SCHEMBL29015838 0.75 TSHR (0.42) TSHRHSD17B10MMP9MMP1MMP3
SCHEMBL11774039 0.74 TSHR (0.44) TSHRHSD17B10ALDH1A1LMNAGAA
SCHEMBL11774057 0.73 TSHR (0.37) TSHRHSD17B10ALDH1A1HDAC1MEN1
SCHEMBL27726123 0.73 TSHR (0.52) TSHRHSD17B10KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
CN-101208349-B Thiophene compound having phosphate ester and method for producing same NISSAN CHEMICAL IND LTD 2012-06-06 CN disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
EP-2256124-A1 Phospho-indoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2010-12-01 EP disclosed
EP-1961757-B1 Phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-6110903-A INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE SANKYO COMPANY LTD. (JP) 2000-08-29 US disclosed
EP-0970095-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2000-01-12 EP disclosed
WO-1998039343-A9 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039343-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed
EP-0013744-B1 CATALYST AND PROCESS FOR THE POLYMERIZATION OF ALPHA-OLEFINS AND A PROCESS FOR PREPARING AN ALPHA-OLEFIN POLYMERIZATION CATALYST COMPONENT Standard Oil Company (US) 1984-11-07 EP disclosed
US-4233182-A High activity catalyst for the polymerization of alpha-olefins STANDARD OIL COMPANY (INDIANA) (US) 1980-11-11 US disclosed
US-4233253-A Method for the preparation of metal salts of phosphorus acid esters STANDARD OIL COMPANY (INDIANA) (US) 1980-11-11 US disclosed
EP-0013744-A1 Catalyst and process for the polymerization of alpha-olefins and a process for preparing an alpha-olefin polymerization catalyst component Standard Oil Company (US) 1980-08-06 EP 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 (1 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-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT TSHR 4573/4885HSD17B10 3538/4885MMP9 4318/4885

“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.