SCHEMBL1592913

SCHEMBL1592913

CCOP(=O)(CCC1OCCO1)OCC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.50
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
UGT2B7 P16662 2/20 0.31
ENPP2 Q13822 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL11213634 0.80 TSHR (0.44) PPARDTSHRTP53TDP1MAPT
SCHEMBL25758493 0.78 PPARD (0.43) PPARDTSHRUGT2B7
SCHEMBL30186533 0.74 PPARD (0.39) PPARDTSHR
SCHEMBL11221537 0.73 TSHR (0.41) PPARDTSHRTP53TDP1MAPT
SCHEMBL3313657 0.71 PPARD (0.70) PPARDTSHRTP53TDP1
SCHEMBL12154630 0.71 PPARD (0.40) PPARDTSHR
SCHEMBL12154629 0.71 PPARD (0.40) PPARDTSHR
SCHEMBL30186686 0.71 PPARD (0.40) PPARDTSHRENPP2LPAR2
SCHEMBL23881696 0.70 TYMS (0.39) LPAR2
SCHEMBL24392559 0.69 PPARD (0.45) PPARDTSHRTP53TDP1UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4406950-A2 LFA-1 INHIBITOR AND POLYMORPH THEREOF Bausch + Lomb Ireland Limited (IE) 2024-07-31 EP disclosed
EP-3715345-B1 PREPARATION OF LFA-1 INHIBITOR NOVARTIS AG (CH) 2024-04-10 EP disclosed
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 US disclosed
EP-3715345-A2 PREPARATION OF LFA-1 INHIBITOR AND POLYMORPH THEREOF Novartis AG (CH) 2020-09-30 EP disclosed
US-20200087287-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE BIOSCIENCE INC. (US) 2020-03-19 US disclosed
US-20180251452-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE BIOSCIENCE INC. (US) 2018-09-06 US disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-9890141-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2018-02-13 US disclosed
US-9890141-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2018-02-13 US disclosed
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 US disclosed
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARcode Bioscience, Inc. (US) 2013-06-13 US disclosed
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARcode Bioscience, Inc. (US) 2013-06-13 US disclosed
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARcode Bioscience, Inc. (US) 2013-06-13 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 US disclosed
WO-2011050175-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE CORPORATION (US) 2011-04-28 WO disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 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 (7 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-20200087287-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 PPARD 1918/4885TSHR 3522/4885TP53 1224/4885
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 PPARD 1816/4885TSHR 3111/4885TP53 1021/4885
US-20180251452-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 PPARD 1918/4885TSHR 3522/4885TP53 1224/4885
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 PPARD 1918/4885TSHR 3522/4885TP53 1224/4885
US-20130150585-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 PPARD 1918/4885TSHR 3522/4885TP53 1224/4885
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof ITGB1, ITGA1, VCAM1 PPARD 1816/4885TSHR 3111/4885TP53 1021/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 PPARD 1816/4885TSHR 3111/4885TP53 1021/4885

“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.