SCHEMBL19732577

SCHEMBL19732577

CC(=O)NCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA4 P22748 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ CA14 Q9ULX7 4/20 0.32
▸ MAPT P10636 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 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
SCHEMBL19732579 0.99 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL19732507 0.95 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL20008742 0.92 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL16234542 0.90 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL21767237 0.90 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL20365824 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTSHRF2
SCHEMBL13248341 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTALDH1A1KDM4E
SCHEMBL13056639 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL18532465 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL22202997 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTTSHRALDH1A1

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
WO-2023150540-A1 HYDROXAMIC ACID MACROCYCLIC AGENTS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2023-08-10 — — WO disclosed
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 — — WO disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 — — US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 — — WO disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 — — US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 — — US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 — — WO disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — 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 (4 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM SMN1; SMN2 2230/4885HPGD 3738/4885HTT 1559/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885HPGD 2327/4885HTT 2150/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885HPGD 2327/4885HTT 2150/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 SMN1; SMN2 3628/4885HPGD 2327/4885HTT 2150/4885

“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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