SCHEMBL6181014

SCHEMBL6181014

CS(=O)(=O)c1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.49
PGK1 P00558 5/20 0.48
PGK2 P07205 5/20 0.48
PTGS2 P35354 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
DGAT2 Q96PD7 1/20 0.40
GRM4 Q14833 1/20 0.39

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
SCHEMBL8363191 0.82 ENPP2 (0.42) ENPP2PTGS2EPHX2NR1H4GRM4
SCHEMBL12931440 0.81 ENPP2 (0.45) ENPP2PTGS2EPHX2NR1H4GRM4
SCHEMBL6182058 0.80 ENPP2 (0.41) ENPP2PTGS2EPHX2NR1H4
SCHEMBL6184850 0.80 ENPP2 (0.43) ENPP2PTGS2EPHX2NR1H4
SCHEMBL1617420 0.80 PGK1 (0.67) ENPP2PGK1PGK2DGAT2
SCHEMBL915493 0.77 PGK1 (0.46) ENPP2PGK1PGK2
SCHEMBL3166623 0.77 HTR6 (0.53) PGK1PGK2
SCHEMBL6182049 0.77 PTGS2 (0.43) ENPP2PTGS2EPHX2NR1H4
SCHEMBL6839967 0.75 ENPP2 (0.52) ENPP2PTGS2EPHX2NR1H4
SCHEMBL1575569 0.74 NPY5R (0.40) ENPP2PTGS2EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156877-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-benzylidene derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-13 US disclosed
US-20120316145-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-12-13 US disclosed
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
US-6572986-B2 Subjecting the phosphor, the organic phosphorus compound, and a polyurethane binder to dispersing processing in order to prepare a coating mixture, applying the coating on a substrate to form phoshor layer FUJI PHOTO FILM CO., LTD. (JP) 2003-06-03 US disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO disclosed
US-20010053461-A1 Radiation image storage panel and process for producing the same FUJIFILM CORPORATION (JP) 2001-12-20 US disclosed
US-6099895-A PHOSPHONIC ACID SURFACE MODIFYING COMPOUND IMATION CORP. (US) 2000-08-08 US disclosed
US-5868959-A MAGNETIC PIGMENT HAVING ARALKYL PHOSPHONIC ACID ADSORBED ONTO SURFACE; HIGH SATURATION MAGNETIZATION AND HIGH SURFACE AREA MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-02-09 US disclosed
CN-1170151-A Surface modification of magnetic particle pigments MINNESOTA MINING & MFG (US) 1998-01-14 CN disclosed
US-5501821-A OPTICAL ARTICLES FOR TRANSMISSION OF ELECTROMAGNETIC WAVES WITH DIPOLES EASTMAN KODAK COMPANY (US) 1996-03-26 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 (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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B ENPP2 941/4885PGK1 1981/4885PGK2 2430/4885
US-20120316145-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-BENZYLIDENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES HSD17B11, CYP17A1, CYP19A1 ENPP2 881/4885PGK1 3755/4885PGK2 3708/4885

“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.