SCHEMBL581322

SCHEMBL581322

CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
PPARA Q07869 2/20 0.64
ABCB11 O95342 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR2A P28223 1/20 0.64
PMP22 Q01453 1/20 0.64
FBP1 P09467 8/20 0.61
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRK1 P41145 1/20 0.45
CNR1 P21554 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL7984260 0.88 TSHR (0.64) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL3585865 0.87 FBP1 (0.60) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL7980993 0.86 FBP1 (0.60) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL16585371 0.86 FBP1 (0.59) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL1116734 0.86 CYP1A2 (0.61) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL2824290 0.86 PPARA (0.61) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL24177870 0.85 PPARA (0.59) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL4678053 0.85 FBP1 (0.58) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL3905158 0.85 PPARA (0.59) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL4682766 0.83 FBP1 (0.69) TSHRPPARAABCB11CYP1A2CYP3A4

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-8906945-B2 Inhibitors of bacterial type III secretion system MICROBIOTIX, INC. (US) 2014-12-09 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
EP-2416661-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM Microbiotix, Inc. (US) 2012-02-15 EP disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 WO disclosed
WO-2010118046-A1 INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM MICROBIOTIX, INC. (US) 2010-10-14 WO disclosed
US-4304907-A Bicyclo lactone intermediates for prostaglandin analogs THE UPJOHN COMPANY (US) 1981-12-08 US disclosed
US-4303796-A 16-Phenoxy prostaglandin F2α analogs THE UPJOHN COMPANY (US) 1981-12-01 US disclosed
US-4116988-A 16-Phenoxy prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4116989-A 16-Phenoxy prostaglandin F1α analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4087616-A 16-Phenoxy prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1978-05-02 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 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 (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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885PPARA 1848/4885ABCB11 261/4885

“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.