SCHEMBL1609396

SCHEMBL1609396

CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CA7 P43166 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA14 Q9ULX7 3/20 0.35
APLNR P35414 1/20 0.35
ELANE P08246 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
Hydrochloric Acid SCHEMBL9176523 0.98 CA1 (0.40) CA12CA1CA2CA9TDP1
SCHEMBL29422137 0.93 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL1927273 0.88 DGAT1 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL28763660 0.88 DGAT1 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL18345387 0.83 DGAT1 (0.39) CA1CA2TDP1DGAT1CA7
SCHEMBL5795897 0.83 DGAT1 (0.39) CA1CA2TDP1DGAT1CA7
SCHEMBL28026126 0.83 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL28672370 0.81 CA1 (0.40) CA12CA1CA2CA9TDP1
SCHEMBL19931568 0.81 ALDH1A1 (0.44) CA12CA1CA2CA9TDP1
SCHEMBL874509 0.81 CA12 (0.41) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151258-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES 2019-05-23 US claimed
EP-2694047-B1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME US HEALTH (US) 2018-11-28 EP claimed
US-20170367998-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES 2017-12-28 US claimed
US-9629816-B2 Small molecule therapeutic compounds targeting thioesterase deficiency disorders and methods of using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2017-04-25 US claimed
US-20140148513-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-05-29 US claimed
EP-2694047-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2014-02-12 EP claimed
WO-2012139119-A1 SMALL MOLECULE THERAPEUTIC COMPOUNDS TARGETING THIOESTERASE DEFICIENCY DISORDERS AND METHODS OF USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-10-11 WO claimed
US-20100093817-A1 Compounds BIAL - PORTELA & CA S.A. (PT) 2010-04-15 US claimed
EP-2121668-A2 6,8-DICHLORCHROMAN-3-YL-1,3-DIHYDROIMIDAZOLE-2-THIONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS BIAL - Portela & Ca., S.A. (PT) 2009-11-25 EP claimed
WO-2008094054-A2 6, 8-DICHLORCHROMAN-3-YL-L, 3-DIHYDROIMIDAZOLE-2-THIONE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS BIAL-PORTELA & CA, S.A. (PT) 2008-08-07 WO claimed
US-6132499-A Inks XEROX CORPORATION (US) 2000-10-17 US claimed
US-6110265-A Ink compositions XEROX CORPORATION (US) 2000-08-29 US claimed
US-6106601-A MIXTURE CONTAINING OXAZOLINE AND THIOUREA COMPOUNDS XEROX CORPORATION (US) 2000-08-22 US claimed
US-6071333-A Ink compositions XEROX CORPORATION (US) 2000-06-06 US claimed
US-6045607-A FIRST AND SECOND SOLID CARBAMATES WITH A DISSIMILAR MELTING POINTS; LIGHTFASTNESS COMPONENT; A LIGHTFASTNESS ANTIOXIDANTS, AND A COLORANT; USEFUL FOR ACOUSTIC INK PRINTING XEROX CORPORATION (US) 2000-04-04 US claimed
EP-0763012-B1 SUCCINYL HYDROXAMIC ACID, N-FORMYL-N-HYDROXY AMINO CARBOXYLIC ACID AND SUCCINIC ACID AMIDE DERIVATIVES AS METALLOPROTEASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-06-09 EP claimed
EP-0534347-B1 A method for the preparation of N-ethylhydroxylamine hydrochloride HOECHST ROUSSEL PHARMA (US) 1995-06-28 EP claimed
US-5206406-A Method for the preparation of N-ethylhydroxylamine hydrochloride HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-04-27 US claimed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100093817-A1 Compounds TPMT, CYP2C8, ABL1 CA12 2632/4885CA1 3237/4885CA2 2315/4885

“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.