SCHEMBL10074962

SCHEMBL10074962

Nc1ncc([C@H](N)C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.51
GRM4 Q14833 1/20 0.51
CSNK2A1 P68400 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
NOS1 P29475 1/20 0.38
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL13095825 1.00 GRM8 (0.51) GRM8GRM4CSNK2A1SMN1; SMN2NOS1
SCHEMBL4255118 0.81 GRM8 (0.51) GRM8GRM4CSNK2A1SMN1; SMN2NOS1
SCHEMBL5029681 0.79 GRM8 (0.47) GRM8GRM4CSNK2A1SMN1; SMN2NOS1
Water SCHEMBL11005843 0.79 GRM8 (0.50) GRM8GRM4CSNK2A1SMN1; SMN2NOS1
SCHEMBL751985 0.75 GRM8 (0.47) GRM8GRM4CSNK2A1SMN1; SMN2NOS1
SCHEMBL28409908 0.71
SCHEMBL5875737 0.69
SCHEMBL10074961 0.69 SMN1; SMN2 (0.50) GRM8GRM4CSNK2A1SMN1; SMN2ALOX15
SCHEMBL10074960 0.69 SMN1; SMN2 (0.50) GRM8GRM4CSNK2A1SMN1; SMN2ALOX15
SCHEMBL7425388 0.69 SMN1; SMN2 (0.50) GRM8GRM4CSNK2A1SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168212-B2 Topical compositions comprising non-proteogenic amino acids and methods of treating skin AVON PRODUCTS, INC (US) 2012-05-01 US disclosed
US-20100261769-A1 Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin AVON PRODUCTS, INC. (US) 2010-10-14 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-20100261769-A1 Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin LOXL1, LOXL2, LOXL3 GRM8 4417/4885GRM4 4727/4885CSNK2A1 965/4885

“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.