SCHEMBL385863

SCHEMBL385863

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 6/20 0.42
PRKCA P17252 2/20 0.38
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ENO1 P06733 1/20 0.32
PKM P14618 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL23470869 0.83 BTN3A1 (0.36) BTN3A1PRKCAALDH1A1
SCHEMBL1822724 0.83 CYP4F2 (0.35) BTN3A1PKM
SCHEMBL9572796 0.80 PRKCA (0.40) BTN3A1PRKCAPOLBGAANPSR1
SCHEMBL20842437 0.80 BTN3A1 (0.38) BTN3A1PRKCAALDH1A1POLBGAA
SCHEMBL28121468 0.80 BTN3A1 (0.38) BTN3A1PRKCAALDH1A1POLBGAA
SCHEMBL681950 0.80 PRKCA (0.46) BTN3A1PRKCAALDH1A1POLBGAA
SCHEMBL11469752 0.78 BTN3A1 (0.31) BTN3A1PKM
SCHEMBL9572793 0.77 PRKCA (0.41) BTN3A1PRKCAALDH1A1POLBGAA
SCHEMBL9572643 0.77 PRKCA (0.44) BTN3A1PRKCAALDH1A1POLBGAA
SCHEMBL17833251 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007054965-A2 PROCESS FOR PREPARATION OF TETRAZOLES FROM AROMATIC CYANO DERIVATIVES ALEMBIC LIMITED (IN) 2007-05-18 WO claimed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US claimed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP claimed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO claimed
EP-0720982-B1 Benzimidazole derivatives, their production and use and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP claimed
EP-0603712-B1 Heterocyclic compounds having angiotensin II antagonistic activity and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-08-16 EP claimed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US claimed
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US claimed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
EP-0668272-B1 A process for the production of tetrazolyl compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 EP claimed
EP-0041047-A2 Dioxide compounds, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-12-02 EP claimed
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US claimed
EP-0025017-A1 Polyazathia compounds, process for their preparation, pharmaceutical preparations containing such compounds and use of the latter CIBA-GEIGY AG (CH) 1981-03-11 EP claimed
EP-0022245-A2 Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-01-14 EP claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
EP-0005507-A1 Process for the fragmentation of 3-(2-hydroxyimino-acetylamino)-2-oxo azetidin compounds and compounds obtained thereby CIBA-GEIGY AG (CH) 1979-11-28 EP claimed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US claimed
US-4067979-A Cephalosporins having an α-acyloxyacetic acid side chain CIBA-GEIGY CORPORATION (US) 1978-01-10 US claimed
US-4034088-A Cephalosporin derivatives, and compositions containing them RHONE-POULENC INDUSTRIES (FR) 1977-07-05 US claimed
US-4034090-A ANTIBACTERIAL RHONE-POULENC INDUSTRIES (FR) 1977-07-05 US 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 BTN3A1 2208/4885PRKCA 4066/4885ALDH1A1 2901/4885

“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.