SCHEMBL1642934

SCHEMBL1642934

O=C(ON1CCNCC1)C(O)C(O)C(=O)ON1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4101170 0.84 HTT (0.32)
SCHEMBL11219359 0.83 CHRM5 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL27672361 0.81 SIGMAR1 (0.40)
SCHEMBL5874892 0.81 CHRM5 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL5874356 0.81 CA2 (0.34) CA2CA12CA1CA9CHKA
SCHEMBL27576738 0.79 HTT (0.30)
SCHEMBL2786080 0.79 HTT (0.30)
SCHEMBL27553618 0.79 HTT (0.30)
SCHEMBL27173938 0.78 CHRM5 (0.36) CA2CA12CA1CA9CHKA
SCHEMBL5875053 0.77 CHRM5 (0.30) CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501242-B2 Methods and compositions for treating neoplasia UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-08-06 US claimed
US-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION 2012-06-21 US claimed
WO-2010138955-A2 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-12-02 WO claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
US-20200197310-A1 Technology for Preparation of Macromolecular Microspheres NEXBIO, INC. 2020-06-25 US disclosed
US-10583086-B2 Technology for preparation of macromolecular microspheres ANSUN BIOPHARMA, INC. (US) 2020-03-10 US disclosed
US-10231938-B2 Transdermal drug delivery device including an occlusive backing NOVEN PHARMACEUTICALS, INC. (US) 2019-03-19 US disclosed
US-20180071219-A1 Technology for Preparation of Macromolecular Microspheres NEXBIO, INC. 2018-03-15 US disclosed
US-20180028449-A1 Technology for the Preparation of Microparticles NEXBIO, INC. 2018-02-01 US disclosed
US-9682043-B2 Method of preparation of mixed phase co-crystals with active agents MEDCRYSTALFORMS, LLC (US) 2017-06-20 US disclosed
CN-106860417-A The compound sustained-released tablet and production technology of a kind of new heart failure resistance disease 上药东英(江苏)药业有限公司 2017-06-20 CN disclosed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO disclosed
EP-1021204-A2 BIOADHESIVE COMPOSITIONS AND METHODS FOR TOPICAL ADMINISTRATION OF ACTIVE AGENTS NOVEN PHARMACEUTICALS, INC. (US) 2000-07-26 EP disclosed
US-6024976-A TRANSDERMAL DRUG DELIVERY WITH PRESSURE SENSITIVE ADHESIVE COMPOSITION OF POLYVINYLPYRROLIDONE WITH DRUG IN MULTILAYER PATCH NOVEN PHARMACEUTICALS, INC. (US) 2000-02-15 US disclosed
US-5894029-A Method of making pet snack food PUREBRED PET PRODUCTS, INC. (US) 1999-04-13 US disclosed
WO-1999015210-A2 BIOADHESIVE COMPOSITIONS AND METHODS FOR TOPICAL ADMINISTRATION OF ACTIVE AGENTS NOVEN PHARMACEUTICALS, INC. (US) 1999-04-01 WO disclosed
US-5656286-A BLEND OF TWO POLYMERS; PRESSURE SENSITIVE ADHESIVE NOVEN PHARMACEUTICALS, INC. (US) 1997-08-12 US disclosed
WO-1996040084-A1 COMPOSITIONS AND METHODS FOR USE OF PRESSURE SENSITIVE ADHESIVE TRANSDERMAL DEVICES CONTAINING A BIOADHESIVE HUMECTANT NOVEN PHARMACEUTICALS, INC. (US) 1996-12-19 WO 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 (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-20120156212-A1 METHODS AND COMPOSITIONS FOR TREATING NEOPLASIA TYMS, UNG, TYMP CA2 1772/4885CA12 1856/4885CA1 1737/4885

“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.