SCHEMBL3230281

SCHEMBL3230281

O=C(NCCOCCOCCO)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CA3 P07451 2/20 0.46
▸ CA5A P35218 2/20 0.46
▸ CA5B Q9Y2D0 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL15062363 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL24243983 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL3219761 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL2777997 0.98 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL38654908 0.90 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20067631 0.87 CA3 (0.59) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL21224801 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL16359229 0.83 EPHX1 (0.55) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL12116757 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL24793189 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-12-13 — — US disclosed
US-8273778-B2 Inhibitors of UDP-galactopyranose mutase thwart mycobacterial growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-25 — — US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-8084589-B2 Phosphoramidite nucleoside analogs UNIVERSITY OF MASSACHUSETTS (US) 2011-12-27 — — US disclosed
US-7893277-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2011-02-22 — — 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-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-03-04 — — US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 — — US disclosed
US-20090136940-A1 PHOSPHORAMIDITE NUCLEOSIDE ANALOGS UNIVERSITY OF MASSACHUSETTS (US) 2009-05-28 — — US disclosed
WO-2009029868-A1 PHOSPHORAMIDITE NUCLEOSIDE ANALOGS UNIVERSITY OF MASSACHUSETTS (US) 2009-03-05 — — WO disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 — — 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 (6 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 SMN1; SMN2 4039/4885ALDH1A1 2008/4885POLB 447/4885
US-20100160645-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 SMN1; SMN2 4039/4885ALDH1A1 2008/4885POLB 447/4885
US-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS SMN1; SMN2 4455/4885ALDH1A1 408/4885POLB 429/4885
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS SMN1; SMN2 4455/4885ALDH1A1 408/4885POLB 429/4885
US-20090136940-A1 PHOSPHORAMIDITE NUCLEOSIDE ANALOGS TYMP, PNP, TYMS SMN1; SMN2 1001/4885ALDH1A1 3413/4885POLB 97/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 SMN1; SMN2 4039/4885ALDH1A1 2008/4885POLB 447/4885

“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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