SCHEMBL516237

SCHEMBL516237

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
F11 P03951 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
DGAT1 O75907 1/20 0.39
HIF1A Q16665 3/20 0.38
CFTR P13569 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
LIPE Q05469 2/20 0.36
CSF1R P07333 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ROCK1 Q13464 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL20190363 0.90 F2 (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL23798209 0.87 F2 (0.44) F2F11PRSS1PRSS2PRSS3
SCHEMBL31061615 0.85 CSF1R (0.44) DGAT1HIF1AAAK1CSF1RLPL
SCHEMBL2863066 0.85 CSF1R (0.44) DGAT1HIF1AAAK1CSF1RLPL
SCHEMBL20505157 0.84 DGAT1 (0.47) F2F11PRSS1PRSS2PRSS3
SCHEMBL31313152 0.82 MEN1 (0.39) F2F11PRSS1PRSS2PRSS3
SCHEMBL516745 0.82 CFTR (0.42) F2F11PRSS1PRSS2PRSS3
SCHEMBL25035049 0.81 HIF1A (0.43) F2F11PRSS1PRSS2PRSS3
SCHEMBL424243 0.81 TDP1 (0.52) DGAT1HIF1AAAK1LPLLIPG
SCHEMBL28913511 0.81 AAK1 (0.39) DGAT1HIF1AAAK1CSF1RLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
EP-2528903-A1 5-ALKYNYL-PYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO 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-20160199383-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 F2 2702/4885F11 3338/4885PRSS1 2606/4885
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 F2 2702/4885F11 3338/4885PRSS1 2606/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 F2 2702/4885F11 3338/4885PRSS1 2606/4885

“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.