SCHEMBL15032923

SCHEMBL15032923

CC(C)(C)OC(=O)NCCc1ccc(OCCCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.59
▸ CA2 P00918 7/20 0.59
▸ CA12 O43570 5/20 0.59
▸ CA9 Q16790 5/20 0.59
▸ NAMPT P43490 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ SUCNR1 Q9BXA5 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ACACB O00763 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL1541945 0.91 CA1 (0.64) CA1CA2CA12CA9NAMPT
SCHEMBL2328368 0.90 CA1 (0.61) CA1CA2CA12CA9ITGB3
SCHEMBL31108253 0.88 CA1 (0.62) CA1CA2CA12CA9GPR35
SCHEMBL23291262 0.88 CA1 (0.55) CA1CA2CA12CA9NAMPT
SCHEMBL30048842 0.88 CA2 (0.59) CA1CA2CA12CA9NAMPT
SCHEMBL910539 0.88 CA1 (0.62) CA1CA2CA12CA9ITGB3
SCHEMBL26964370 0.87 CA1 (0.56) CA1CA2CA12CA9NAMPT
SCHEMBL19003451 0.87 ACACB (0.61) CA1CA2CA12CA9NAMPT
SCHEMBL31108265 0.86 CA1 (0.55) CA1CA2CA12CA9ITGB3
SCHEMBL13886735 0.86 NPC1 (0.57) CA1CA2CA12CA9NAMPT

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-9562113-B2 Labeled alginate conjugates for molecular imaging applications BELLEROPHON BCM LLC (US) 2017-02-07 — — US disclosed
US-20160115252-A1 Labeled Alginate Conjugates For Molecular Imaging Applications IKARIA DEVELOPMENT SUBSIDIARY ONE LLC 2016-04-28 — — US disclosed
EP-2788334-B1 LABELED ALGINATE CONJUGATES FOR MOLECULAR IMAGING APPLICATIONS BELLEROPHON BCM LLC (US) 2016-03-23 — — EP disclosed
US-9260399-B2 Labeled alginate conjugates for molecular imaging applications BELLEROPHON BCM LLC (US) 2016-02-16 — — US disclosed
US-20150133645-A1 Labeled Alginate Conjugates For Molecular Imaging Applications IKARIA DEVELOPMENT SUBSIDIARY ONE LLC 2015-05-14 — — US disclosed
US-8974766-B2 Labeled alginate conjugates for molecular imaging applications BELLEROPHON BCM LLC (US) 2015-03-10 — — US disclosed
WO-2013086396-A1 LABELED ALGINATE CONJUGATES FOR MOLECULAR IMAGING APPLICATIONS IKARIA DEVELOPMENT SUBSIDIARY ONE LLC (US) 2013-06-13 — — WO disclosed
US-20130149242-A1 Labeled Alginate Conjugates for Molecular Imaging Applications IKARIA DEVELOPMENT SUBSIDIARY ONE LLC (US) 2013-06-13 — — US 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 (3 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-20160115252-A1 Labeled Alginate Conjugates For Molecular Imaging Applications ALG1, ALG8, ALG3 CA1 238/4885CA2 204/4885CA12 201/4885
US-20150133645-A1 Labeled Alginate Conjugates For Molecular Imaging Applications ALG1, ALG8, ALG3 CA1 238/4885CA2 204/4885CA12 201/4885
US-20130149242-A1 Labeled Alginate Conjugates for Molecular Imaging Applications ALG1, ALG8, ALG3 CA1 238/4885CA2 204/4885CA12 201/4885

“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.

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