SCHEMBL1865098

SCHEMBL1865098

CCCCONC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSS P25774 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
ALDH1A1 P00352 1/20 0.38
APLNR P35414 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL1859283 0.94 EPHX1 (0.43) CTSKCA12CA1CA7CA14
SCHEMBL15341460 0.93 EPHX1 (0.46) CTSKCA12CA1CA7CA14
SCHEMBL7527615 0.93 EPHX1 (0.46) CTSKCA12CA1CA7CA14
SCHEMBL20464123 0.88 CA1 (0.43) CTSKCA12CA1CA7CA14
SCHEMBL962814 0.85 TDP1 (0.41) CTSKCA12CA1CA7CA14
SCHEMBL16140623 0.85 TDP1 (0.53) CTSKCA12CA1CA7CA14
SCHEMBL17770818 0.84 TDP1 (0.38) CTSKCA12CA1CA7CA14
SCHEMBL16579904 0.83 MAOA (0.43) CTSKCA12CA1TDP1CTSS
SCHEMBL755597 0.83 CA1 (0.40) CA12CA1CA7CA14TDP1
Hydrochloric Acid SCHEMBL17803469 0.83 TDP1 (0.40) CTSKCA12CA1CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
WO-2016027262-A1 ANTIBACTERIAL SIDEROMYCINS MILLER MARVIN J 2016-02-25 WO disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 US disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
EP-1146037-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO (JP) 2006-06-21 EP disclosed
US-6410749-B1 REACTING A CARBONYL COMPOUND WITH ORGANOMETALLIC COMPOUND NIPPON SODA CO., LTD. (JP) 2002-06-25 US disclosed
EP-1146037-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO., LTD. (JP) 2001-10-17 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR CTSK 2529/4885CA12 4439/4885CA1 3899/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD CTSK 1530/4885CA12 1447/4885CA1 783/4885

“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.