SCHEMBL10099813

SCHEMBL10099813

NCCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.56
▸ CA2 P00918 3/20 0.56
▸ ITGB3 P05106 5/20 0.54
▸ ITGA2B P08514 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ FOLH1 Q04609 3/20 0.51

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
SCHEMBL2339741 0.92 CA1 (0.58) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL2339748 0.92 CA1 (0.58) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL10099834 0.86 ALDH1A1 (0.55) CA1CA2ITGB3ITGA2BHSD17B10
SCHEMBL11850661 0.86 CA2 (0.61) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL10099849 0.86 LCK (0.62) LCK
SCHEMBL24090396 0.84 TRPV1 (0.62) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL8257309 0.84 TRPV1 (0.62) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL11277926 0.83 CA2 (0.55) CA1CA2KDM4EUSP2EGFR
SCHEMBL18619736 0.83 MME (0.56) CA1CA2ITGB3ITGA2BKDM4E
SCHEMBL10963364 0.83 ITGB3 (0.65) ITGB3ITGA2BMMEACE

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-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 — — US disclosed
US-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 — — US disclosed
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS BAR-ILAN UNIVERSITY (IL) 2012-11-01 — — US disclosed
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS BAR-ILAN UNIVERSITY (IL) 2012-11-01 — — US disclosed
US-8207369-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-06-26 — — US disclosed
US-8207369-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-06-26 — — US disclosed
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-02-10 — — US disclosed
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-02-10 — — 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 (2 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-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, GABRB2, SLC6A13 CA1 1582/4885CA2 3161/4885ITGB3 3514/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 CA1 1639/4885CA2 3005/4885ITGB3 3970/4885

“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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