SCHEMBL10099814

SCHEMBL10099814

CCCCOC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)CCCN

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.54
▸ ITGA2B P08514 2/20 0.54
▸ LCK P06239 1/20 0.48
▸ CHRND Q07001 7/20 0.47
▸ GRIA1 P42261 4/20 0.47
▸ CHRNA1 P02708 3/20 0.47
▸ CHRNG P07510 3/20 0.47
▸ CHRNB1 P11230 3/20 0.47
▸ TRPV1 Q8NER1 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL10099849 0.87 LCK (0.62) LCK
SCHEMBL23668330 0.86 TRPV1 (0.57) ITGB3ITGA2BLCKTRPV1HSD17B10
SCHEMBL10099904 0.84 ALOX15 (0.54) ITGB3ITGA2BCHRNDGRIA1CHRNA1
SCHEMBL15711987 0.83 ALOX15 (0.53) ITGB3ITGA2BCHRNDGRIA1CHRNA1
SCHEMBL15711971 0.82 LCK (0.49) LCKTRPV1HSD17B10MEN1MAPT
SCHEMBL8004837 0.82 LCK (0.49) LCKTRPV1HSD17B10MEN1MAPT
SCHEMBL15711980 0.82 ALOX15 (0.52) ITGB3ITGA2BCHRNDGRIA1CHRNA1
SCHEMBL10099894 0.82 CA1 (0.46) ITGB3ITGA2BLCKGRIA1TRPV1
SCHEMBL10099813 0.81 CA1 (0.56) ITGB3ITGA2BLCKCHRNDHSD17B10
SCHEMBL10099944 0.80 LCK (0.48) ITGB3ITGA2BLCK

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 5 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-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

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 ITGB3 3514/4885ITGA2B 2364/4885LCK 3607/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 ITGB3 3970/4885ITGA2B 2825/4885LCK 2796/4885

“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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