SCHEMBL4316004

SCHEMBL4316004

CCc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PPARG P37231 2/20 0.41
RXRA P19793 2/20 0.40
CYP3A4 P08684 1/20 0.40
PSMD10 O75832 1/20 0.40
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 1/20 0.36
VDR P11473 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL30292889 1.00 HRH3 (0.44) HRH3CYP1A2CYP2D6PPARGRXRA
SCHEMBL25909219 0.86 HRH3 (0.40) HRH3CYP1A2CYP2D6RXRAPSMD10
SCHEMBL2881272 0.83 PSMD10 (0.38) PSMD10CA1CA9CA12HPGD
SCHEMBL932051 0.83 HTR2A (0.44) PSMD10CA1CA9CA12HTR2A
SCHEMBL1162383 0.80 HRH3 (0.47) HRH3CYP1A2CYP2D6PPARGRXRA
SCHEMBL121411 0.80 CA1 (0.40) PSMD10CA1CA9CA12ALDH1A1
SCHEMBL17023777 0.78 CA1 (0.39) PSMD10CA1CA9CA12ALDH1A1
SCHEMBL18289524 0.78 CA1 (0.50) CYP3A4CA1CA9CA12ALDH1A1
SCHEMBL6906905 0.78 CA1 (0.50) CYP3A4CA1CA9CA12ALDH1A1
SCHEMBL26338334 0.78 UCHL1 (0.44) PSMD10CA1CA9CA12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009148195-A1 5-(4-HYDROXYBENZYL)THIAZOLIDINE-2,4-DIONE AS INTERMEDIATE FOR SYNTHESIS OF THIAZOLIDINEDIONE BASED COMPOUNDS AND PROCESS FOR PREPARING THE SAME DAEBONG LS, LTD. (KR) 2009-12-10 WO claimed
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
WO-2015013715-A2 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE THR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 WO disclosed
WO-2015013715-A2 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE THR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 WO disclosed
WO-2009148195-A1 5-(4-HYDROXYBENZYL)THIAZOLIDINE-2,4-DIONE AS INTERMEDIATE FOR SYNTHESIS OF THIAZOLIDINEDIONE BASED COMPOUNDS AND PROCESS FOR PREPARING THE SAME DAEBONG LS, LTD. (KR) 2009-12-10 WO disclosed
EP-1387843-B1 METHOD FOR OBTAINING PIOGLITAZONE AS AN ANTIDIABETIC AGENT ZENTIVA AS (CZ) 2007-02-28 EP disclosed
US-7009057-B2 Method for obtaining pioglitazone as an antidiabetic agent ZENTIVA A.S. (CZ) 2006-03-07 US disclosed
WO-2004108721-A1 PROCESS FOR THE PREPARATION OF 5-[[4-[2-(5-ETHYL-2-PYRIDINYL)ETHOXY]PHENYL] METHYL]-2,4-THIAZOLIDINEDIONE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-12-16 WO disclosed
EP-1387843-A1 METHOD FOR OBTAINING PIOGLITAZONE AS AN ANTIDIABETIC AGENT Leciva, A.S. (CZ) 2004-02-11 EP disclosed
EP-0816340-B1 Process for preparing 4-(2-(2-pyridyl)ethoxy)benzaldehyde derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
WO-2002088120-A1 METHOD FOR OBTAINING PIOGLITAZONE AS AN ANTIDIABETIC AGENT Léciva, a.s. (CZ) 2002-11-07 WO disclosed
US-6100403-A Production of benzaldehyde compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5952509-A REACTING P-HYDROXYBENZALDEHYDE WITH A PYRIDYL-ETHYL SULFONATE DERIVATIVE TO FORM 4-(2-(SUBSTITUTED OR NONSUBSTITUTED-2-PYRIDYL)ETHOXY) BENZALDEHYDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0816340-A1 Process for preparing 4-(2-(2-pyridyl)ethoxy)benzaldehyde derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP disclosed
US-5554758-A Method for producing ethers TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-10 US disclosed
EP-0506273-B1 Method for producing ethers TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-05-31 EP disclosed
EP-0506273-A2 Method for producing ethers TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-30 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-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE AFF2, INF2, NPFFR2 HRH3 23/4885CYP1A2 39/4885CYP2D6 426/4885

“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.