SCHEMBL25907951

SCHEMBL25907951

COC(=O)C(CCC(=O)OC(C)(C)C)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.62
KMT2A Q03164 3/20 0.40
CTSK P43235 1/20 0.39
PTPRC P08575 2/20 0.39
P2RY12 Q9H244 1/20 0.38
CASR P41180 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MIF P14174 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
KLK5 Q9Y337 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
SCHEMBL22754527 0.90 AAK1 (0.70) AAK1KMT2ACTSKPTPRCCASR
SCHEMBL16116872 0.90 AAK1 (0.70) AAK1KMT2ACTSKPTPRCCASR
SCHEMBL24696988 0.86 AAK1 (0.57) AAK1KMT2ACTSKPTPRCP2RY12
SCHEMBL15192091 0.84 AAK1 (0.68) AAK1KMT2ACTSKALDH1A1MEN1
SCHEMBL15192090 0.84 AAK1 (0.68) AAK1KMT2ACTSKALDH1A1MEN1
SCHEMBL2722298 0.82 AAK1 (0.73) AAK1KMT2ACTSKPTPRCPPARG
SCHEMBL12766557 0.82 AAK1 (0.73) AAK1KMT2ACTSKPTPRCPPARG
SCHEMBL2722294 0.82 AAK1 (0.73) AAK1KMT2ACTSKPTPRCPPARG
SCHEMBL15192087 0.82 AAK1 (0.65) AAK1KMT2APPARGPPARAALDH1A1
SCHEMBL15192089 0.82 AAK1 (0.65) AAK1KMT2APPARGPPARAALDH1A1

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 AAK1 3188/4885KMT2A 3214/4885CTSK 4660/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B AAK1 3188/4885KMT2A 3214/4885CTSK 4660/4885

“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.