SCHEMBL194845

SCHEMBL194845

CCOP(=O)(CCCCC(=O)O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.52
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 5/20 0.45
PTPN1 P18031 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL4229202 0.98 PPARD (0.50) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL31494109 0.98 PPARD (0.50) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL21805452 0.98 PPARD (0.50) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL2383184 0.94 PPARD (0.54) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL28280048 0.91 ALDH1A1 (0.46) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL1276434 0.85 PPARD (0.58) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL29169497 0.84 PPARD (0.52) PPARDTSHR
SCHEMBL28021210 0.83 PPARD (0.56) PPARDAKR1B1ALDH1A1GPR84PPARG
SCHEMBL7268189 0.82 PPARD (0.64) PPARDTSHRTDP1
SCHEMBL29169496 0.82 PPARD (0.50) PPARDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
EP-2044101-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USES AS ANTIBACTERIAL AGENTS NOVARTIS AG (CH) 2013-10-09 EP disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
US-7851439-B2 EFTU inhibitors or aminothiazoles and their uses NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
EP-2044101-A2 AMINOTHIAZOLE DERIVATIVES AND THEIR USES AS ANTIBACTERIAL AGENTS Novartis AG (CH) 2009-04-08 EP disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 US disclosed
WO-2007142986-A2 AMINOTHIAZOLE DERIVATIVES AND THEIR USES AS ANTIBACTERIAL AGENTS NOVARTIS AG (CH) 2007-12-13 WO disclosed
US-4235990-A CRYSTALS WHICH DISPLAY INTERCALATION ACTIVITY OR CAN BE AMORPHOUS OCCIDENTAL RESEARCH CORPORATION (US) 1980-11-25 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 (3 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-20100267757-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 PPARD 284/4885AKR1B1 1156/4885ALDH1A1 353/4885
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM PPARD 2012/4885AKR1B1 1430/4885ALDH1A1 1404/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 PPARD 284/4885AKR1B1 1156/4885ALDH1A1 353/4885

“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.