SCHEMBL756177

SCHEMBL756177

CC1(C)OCC(C(O)C(F)(F)C(=O)O)O1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MMP9 P14780 3/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL14449048 1.00 HCRTR1 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL13697137 1.00 HCRTR1 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL4087184 1.00 HCRTR1 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL13696843 0.89 MMP9 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL13696839 0.89 MMP9 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL13696841 0.89 MMP9 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL4157011 0.87 MAPK1 (0.36)
SCHEMBL5319489 0.87 MAPK1 (0.36)
SCHEMBL28442215 0.86 HCRTR1 (0.32) HCRTR1HCRTR2MMP9MMP1MMP2
SCHEMBL20789108 0.84 HCRTR2 (0.31) HCRTR1HCRTR2MMP9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2009-09-03 US claimed
WO-2007092705-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-08-16 WO claimed
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates CHEMAGIS LTD. (IL) 2007-08-16 US claimed
CN-113784721-A High activity compound for resisting COVID-19 阿堤亚制药公司 2021-12-10 CN disclosed
EP-3897668-A1 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
EP-2049558-B1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO LTD (KR) 2012-03-21 EP disclosed
US-20100010205-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME YUIL PHARM TECH CO., LTD (KR) 2010-01-14 US disclosed
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2009-09-03 US disclosed
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2009-09-03 US disclosed
US-20090069557-A1 PREPARATION OF GEMCITABINE DR. REDDY'S LABORATORIES LTD. (IN) 2009-03-12 US disclosed
WO-2007092705-A3 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD (IL) 2008-01-03 WO disclosed
WO-2007092705-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-08-16 WO disclosed
WO-2007092705-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-08-16 WO disclosed
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates CHEMAGIS LTD. (IL) 2007-08-16 US disclosed
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates CHEMAGIS LTD. (IL) 2007-08-16 US disclosed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 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 (4 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-20100010205-A1 NAPHTHALENE 2-CARBOXYLATE DERIVATIVE USEFUL FOR SYNTHESIZING GEMCITABINE AND A METHOD FOR PREPARING THE SAME NUDT1, DUT, UMPS HCRTR1 4292/4885HCRTR2 4088/4885MMP9 4597/4885
US-20090069557-A1 PREPARATION OF GEMCITABINE GMNN, TYMP, GDA HCRTR1 4871/4885HCRTR2 4877/4885MMP9 2617/4885
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates DCTD, DPYD, THPO HCRTR1 4183/4885HCRTR2 4135/4885MMP9 4700/4885
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES THPO, DPYD, DCTD HCRTR1 4187/4885HCRTR2 3765/4885MMP9 4697/4885

“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.