SCHEMBL9891063

SCHEMBL9891063

CC(C)(C)C(=O)OCOP(C)(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 8/20 0.49
ALDH1A1 P00352 1/20 0.47
ENO1 P06733 2/20 0.43
PRKCA P17252 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ABCB11 O95342 1/20 0.34
POLA1 P09884 1/20 0.34
POLG P54098 1/20 0.34
FAP Q12884 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4758987 0.91 BTN3A1 (0.43) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL18309146 0.86 BTN3A1 (0.40) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL10128755 0.85 BTN3A1 (0.47) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL18309164 0.85 BTN3A1 (0.47) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL10378800 0.84 BTN3A1 (0.50) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL28720185 0.83 BTN3A1 (0.53) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL3437081 0.83 BTN3A1 (0.53) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL10378801 0.83 BTN3A1 (0.49) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL18712422 0.81 ALDH1A1 (0.54) BTN3A1ALDH1A1ENO1PRKCAFNTA
SCHEMBL2458617 0.81 BTN3A1 (0.60) BTN3A1ALDH1A1ENO1PRKCAFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES NEOVIRTECH (FR) 2021-03-18 US disclosed
EP-3738969-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES FOR USE IN TREATING PNEUMOVIRINAE VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-11-18 EP disclosed
US-20170327526-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES GILEAD SCIENCES, INC. 2017-11-16 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-9663543-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
WO-2016028866-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES GILEAD SCIENCES, INC. (US) 2016-02-25 WO disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-8785629-B2 Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-22 US disclosed
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY UNIVERSITE D'ORLEANS (FR) 2012-06-07 US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF CIS BIO INTERNATIONAL (FR) 2010-06-10 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
US-7601703-B2 Enzyme catalyzed therapeutic agents CELMED ONCOLOGY (USA), INC. (CA) 2009-10-13 US disclosed
US-7419968-B1 Methods for treating therapy-resistant tumors CELMED ONCOLOGY (USA), INC. (CA) 2008-09-02 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 (8 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 BTN3A1 2428/4885ALDH1A1 330/4885ENO1 1420/4885
US-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES TYMP, EIF2AK2, PNP BTN3A1 4408/4885ALDH1A1 2309/4885ENO1 1910/4885
US-20120142897-A1 PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY PNP, PHPT1, TYMP BTN3A1 3336/4885ALDH1A1 3189/4885ENO1 409/4885
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI BTN3A1 3529/4885ALDH1A1 4266/4885ENO1 3614/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP BTN3A1 2837/4885ALDH1A1 3727/4885ENO1 2948/4885
US-20170327526-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES TYMP, DPYD, TYMS BTN3A1 4572/4885ALDH1A1 1308/4885ENO1 2732/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP BTN3A1 2837/4885ALDH1A1 3727/4885ENO1 2948/4885
US-20100143960-A1 CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF C9, CBR3, C3AR1 BTN3A1 865/4885ALDH1A1 3628/4885ENO1 331/4885

“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.