SCHEMBL10099834

SCHEMBL10099834

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ TRPV1 Q8NER1 2/20 0.54
▸ FAAH O00519 2/20 0.54
▸ MME P08473 1/20 0.54
▸ ACE P12821 1/20 0.54
▸ ITGB3 P05106 4/20 0.54
▸ ITGA2B P08514 4/20 0.54
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ IAPP P10997 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FOLH1 Q04609 1/20 0.51
▸ KDM6B O15054 1/20 0.50
▸ CTSB P07858 1/20 0.49

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
SCHEMBL24090396 0.95 TRPV1 (0.62) ALDH1A1TRPV1FAAHMMEACE
SCHEMBL8257309 0.95 TRPV1 (0.62) ALDH1A1TRPV1FAAHMMEACE
SCHEMBL18619736 0.92 MME (0.56) ALDH1A1FAAHMMEACEITGB3
SCHEMBL20414922 0.88 FAAH (0.69) ALDH1A1TRPV1FAAHITGB3ITGA2B
SCHEMBL10099813 0.86 CA1 (0.56) MMEACEITGB3ITGA2BCA1
SCHEMBL4581635 0.86 FAAH (0.59) ALDH1A1FAAHMMEACEITGB3
SCHEMBL4581634 0.86 FAAH (0.59) ALDH1A1FAAHMMEACEITGB3
SCHEMBL4179518 0.86 MME (0.58) ALDH1A1MMEACECA1CA2
SCHEMBL4179516 0.86 MME (0.58) ALDH1A1MMEACECA1CA2
SCHEMBL29926699 0.85 KDM6B (0.51) ALDH1A1TRPV1MMEACECA1

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 4 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-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 ALDH1A1 518/4885TRPV1 4408/4885FAAH 1711/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 ALDH1A1 684/4885TRPV1 4556/4885FAAH 1903/4885

“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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