SCHEMBL25907902

SCHEMBL25907902

C[C@H](NC(=O)[C@@H](C)CCC(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 3/20 0.56
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
CASR P41180 1/20 0.51
MMP14 P50281 2/20 0.49
NPC1 O15118 1/20 0.49
HSD17B10 Q99714 2/20 0.49
APAF1 O14727 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GPR139 Q6DWJ6 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL28553978 0.88 POLB (0.57) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL27909117 0.83 MEN1 (0.63) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL25907904 0.82 POLB (0.51) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL2698411 0.80 POLB (0.69) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL18943228 0.80 EPHX2 (0.62) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL2698951 0.80 POLB (0.69) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL28555502 0.80 MEN1 (0.63) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL3069332 0.78 MAPT (0.71) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL3076773 0.78 MAPT (0.71) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL692819 0.78 MAPT (0.71) MEN1KMT2AMAPTNPC1ALDH1A1

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-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate CELGENE CORPORATION (US) 2024-02-27 US disclosed
US-20230234914-A1 PROCESSES FOR THE PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE CELGENE CORPORATION 2023-07-27 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 (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-20230234914-A1 PROCESSES FOR THE PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE UMPS, DHPS, NT5C3B POLB 27/4885CTDSP1 57/4885MEN1 4232/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B POLB 27/4885CTDSP1 57/4885MEN1 4232/4885

“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.