SCHEMBL1070699

SCHEMBL1070699

N=C(N)NCCC[C@H](NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPY4R P50391 3/20 0.39
▸ C3AR1 Q16581 1/20 0.38
▸ FOLH1 Q04609 5/20 0.37
▸ CA3 P07451 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA5B Q9Y2D0 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ EPHX1 P07099 1/20 0.35
▸ NOD1 Q9Y239 2/20 0.34

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
SCHEMBL1070697 1.00 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6382960 0.90 NPY4R (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1724846 0.85 FOLH1 (0.40) POLBSMN1; SMN2MEN1KMT2ANPY4R
SCHEMBL4552682 0.85 FOLH1 (0.40) POLBSMN1; SMN2MEN1KMT2ANPY4R
Trifluoroacetic Acid SCHEMBL29816943 0.85 NPY4R (0.43) ALDH1A1SMN1; SMN2NPY4RC3AR1FOLH1
SCHEMBL29005731 0.84 C3AR1 (0.43) SMN1; SMN2MEN1KMT2ANPY4RC3AR1
SCHEMBL12971304 0.84 C3AR1 (0.43) SMN1; SMN2MEN1KMT2ANPY4RC3AR1
SCHEMBL31184339 0.84 FOLH1 (0.39) SMN1; SMN2MEN1KMT2ANPY4RC3AR1
Trifluoroacetic Acid SCHEMBL7438898 0.83 NPY4R (0.45) NPY4RC3AR1FOLH1CA12CA2
SCHEMBL1765043 0.83 C3AR1 (0.45) SMN1; SMN2MEN1KMT2ANPY4RC3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775353-A Short peptide compound and preparation method thereof, cosmetic composition and application 常州市智态生创科技有限公司 2025-04-08 — — CN disclosed
US-8691790-B2 Therapy of neurological inflammatory diseases with (5'-deoxy-5'-adenosyl) cobamamide, recombinant human growth hormone, interleukins IL-1, IL-6, IL-11, epidermal growth factor, and physiotherapy BOUCHER JAMES LAYNE (US) 2014-04-08 — — US disclosed
US-20110020311-A1 Therapy of multiple sclerosis, inflammatory neurological diseases and neurodegenerative diseases with 5'-deoxyadenosylcobalamin, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy BOUCHER JAMES LAYNE 2011-01-27 — — 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 (1 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-20110020311-A1 Therapy of multiple sclerosis, inflammatory neurological diseases and neurodegenerative diseases with 5'-deoxyadenosylcobalamin, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy ADA, ADORA2B, AHCY ALDH1A1 3610/4885POLB 63/4885SMN1; SMN2 1294/4885

“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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