SCHEMBL10074960

SCHEMBL10074960

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
TSHR P16473 1/20 0.44
SLC7A5 Q01650 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
PKM P14618 2/20 0.42
ALPI P09923 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC1A3 P43003 1/20 0.41
CSNK2A1 P68400 1/20 0.41
GRIA2 P42262 2/20 0.40
GRIA1 P42261 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
EPHX2 P34913 1/20 0.39
USP2 O75604 2/20 0.39
RGS12 O14924 1/20 0.39

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
SCHEMBL10074961 1.00 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4TSHRSLC7A5
SCHEMBL7425388 1.00 SMN1; SMN2 (0.50) SMN1; SMN2GRM8GRM4TSHRSLC7A5
SCHEMBL4005849 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TSHRCSNK2A1
SCHEMBL15328477 0.77 SLC7A5 (0.60) SMN1; SMN2TSHRSLC7A5HSD17B10CYP3A4
SCHEMBL15328481 0.77 SLC7A5 (0.60) SMN1; SMN2TSHRSLC7A5HSD17B10CYP3A4
SCHEMBL9172559 0.74 SLC7A5 (0.55) TSHRSLC7A5HSD17B10CYP3A4PKM
Bromide SCHEMBL5048845 0.73 SMN1; SMN2 (0.58) SMN1; SMN2TSHRHSD17B10CSNK2A1EPHX2
SCHEMBL5835893 0.72 ALDH1A1 (0.46) SMN1; SMN2TSHRHSD17B10CSNK2A1EPHX2
SCHEMBL5653620 0.71 SMN1; SMN2 (0.53) SMN1; SMN2TSHRHSD17B10CSNK2A1EPHX2
SCHEMBL14780592 0.71 HSD17B10 (0.49) TSHRSLC7A5HSD17B10CYP3A4PKM

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-2229138-B1 TOPICAL COMPOSITIONS COMPRISING NON-PROTEOGENIC AMINO ACIDS AND METHODS OF TREATING SKIN AVON PROD INC (US) 2019-08-28 EP disclosed
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 US disclosed
US-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed
US-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed
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 (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-20100261769-A1 Topical Compositions Comprising Non-Proteogenic Amino Acids and Methods of Treating Skin LOXL1, LOXL2, LOXL3 SMN1; SMN2 2608/4885GRM8 4417/4885GRM4 4727/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 SMN1; SMN2 4155/4885GRM8 2739/4885GRM4 2993/4885

“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.