SCHEMBL1507286

SCHEMBL1507286

CC(C)(C)C(=O)OCCOC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRKCA P17252 1/20 0.39
ELANE P08246 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
NPC1 O15118 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5694620 0.92 POLB (0.38) POLBGAANPSR1PRKCAELANE
SCHEMBL4258156 0.87 POLB (0.48) POLBGAANPSR1PRKCAELANE
SCHEMBL390512 0.81 PRKCA (0.39) POLBGAANPSR1PRKCAELANE
SCHEMBL4886954 0.80 POLB (0.44) POLBGAANPSR1PRKCAELANE
SCHEMBL1640972 0.80 POLB (0.44) POLBGAANPSR1PRKCAELANE
SCHEMBL5021535 0.80 POLB (0.44) POLBGAANPSR1PRKCAELANE
SCHEMBL4885829 0.80 POLB (0.44) POLBGAANPSR1PRKCAELANE
Benzene SCHEMBL10513541 0.80 POLB (0.48) POLBGAANPSR1PRKCAELANE
SCHEMBL997657 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10403143 0.78 POLB (0.43) POLBGAANPSR1PRKCAELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292590-A2 Prodrugs of 9-aminomethyl tetracycline compounds Paratek Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100249076-A1 PRODRUGS OF 9-AMINOMETHYL TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. (US) 2010-09-30 US disclosed
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP 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 (2 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-20100249076-A1 PRODRUGS OF 9-AMINOMETHYL TETRACYCLINE COMPOUNDS TET3, TET1, TPMT POLB 2756/4885GAA 1871/4885NPSR1 4143/4885
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof F2, HYPK, F10 POLB 3016/4885GAA 1922/4885NPSR1 2025/4885

“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.