Sugi Predict

Sugi Predict / Compounds / SCHEMBL10126418

SCHEMBL10126418

SCHEMBL10126418

C#CCN(CC#C)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ TSHR P16473 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SRD5A2 P31213 1/20 0.41
▸ PYCR1 P32322 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DHFR P00374 3/20 0.40
▸ CA3 P07451 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40

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
SCHEMBL28417341 0.83 PYCR1 (0.60) CA1CA2CA12CA4CA7
SCHEMBL13338103 0.81 CA12 (0.63) CA1CA2CA12CA4CA7
SCHEMBL10126415 0.75 CA12 (0.53) CA1CA2CA12CA4CA7
SCHEMBL472319 0.75 TSHR (0.55) CA1CA2CA12CA4CA7
SCHEMBL10061937 0.75 MAPT (0.58) CA1CA2CA12CA4CA7
SCHEMBL11957499 0.75 CA12 (0.51) CA1CA2CA12CA4CA7
SCHEMBL10430153 0.74 CA12 (0.52) CA1CA2CA12CA4CA7
SCHEMBL10473320 0.74 CA12 (0.45) CA1CA2CA12CA4CA7
SCHEMBL342127 0.74 TSHR (0.52) CA1CA2CA12CA4CA7
SCHEMBL64440 0.74 MEN1 (0.56) TSHRTP53MEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178600-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2013-07-11 — — US disclosed
US-8268936-B2 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-18 — — US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 — — US disclosed
US-8212083-B2 Use in PEGylation of biologicals; variety of terminal functional groups; made by polymerizing ethylene oxide on initiators such as N-(hydroxyalkyl) imines or N,N-bis(diphenyloxophosphino)-N-hydroxyalkylamines INTEZYNE TECHNOLOGIES, INC. (US) 2012-07-03 — — US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-20110224383-A1 POLY(ETHYLENE GLYCOL) DERIVATIVES FOR METAL-FREE CLICK CHEMISTRY INTEZYNE TECHNOLOGIES, INC. (US) 2011-09-15 — — US disclosed
US-7893277-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2011-02-22 — — US disclosed
US-20110021718-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES (US) 2011-01-27 — — US disclosed
US-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES (US) 2010-11-04 — — US disclosed
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2010-06-24 — — US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 — — US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 — — US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — US disclosed
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof INTEZYNE TECHNOLOGIES (US) 2008-08-07 — — 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 (5 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-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA1 2195/4885CA2 3187/4885CA12 1126/4885
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA1 2195/4885CA2 3187/4885CA12 1126/4885
US-20080188638-A1 Heterobifunctional poly(ethyleneglycol) containing acid-labile amino protecting groups and uses thereof LNPEP, GNE, DNPEP CA1 793/4885CA2 2008/4885CA12 701/4885
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA1 2195/4885CA2 3187/4885CA12 1126/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 CA1 2195/4885CA2 3187/4885CA12 1126/4885

“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.