SCHEMBL23514432

SCHEMBL23514432

N[C@@H](CSSC[C@H](N)C(=O)N1CCN(C2CCCC2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 3/20 0.41
CHRM1 P11229 2/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 2/20 0.36

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
SCHEMBL23514438 0.94 PHGDH (0.46) PHGDHMGLLGAATSHRKDM4E
SCHEMBL23514549 0.94 PHGDH (0.46) PHGDHMGLLGAATSHRKDM4E
Hydrochloric Acid SCHEMBL23499910 0.93 PHGDH (0.45) PHGDHMGLLGAATSHRKDM4E
SCHEMBL23514441 0.89 DPP8 (0.46) CHRM1L3MBTL3L3MBTL1
SCHEMBL23514436 0.88 PHGDH (0.38) PHGDHMGLLGAATSHRKDM4E
SCHEMBL23514538 0.88 PHGDH (0.38) PHGDHMGLLGAATSHRKDM4E
Hydrochloric Acid SCHEMBL23499909 0.87 DPP8 (0.39) PHGDHMGLLGAATSHRKDM4E
SCHEMBL23514532 0.82 DPP8 (0.49) CHRM1L3MBTL3L3MBTL1
SCHEMBL23514531 0.82 DPP8 (0.49) CHRM1L3MBTL3L3MBTL1
SCHEMBL23514429 0.78 HSD17B10 (0.40) PHGDHMGLLALDH1A1CHRM1HSD17B10

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-20230043330-A1 Cystine Diamide Analogs For Cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-09 US disclosed
WO-2021119475-A1 CYSTINE DIAMIDE ANALOGS FOR CYSTINURIA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-06-17 WO 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-20230043330-A1 Cystine Diamide Analogs For Cystinuria CTH, CBS, SLC7A11 PHGDH 1050/4885MGLL 1668/4885GAA 1173/4885

“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.