SCHEMBL25907970

SCHEMBL25907970

CC(C)(C)OC(=O)CCC(C#N)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
CTSS P25774 6/20 0.37
CTSK P43235 5/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPRC P08575 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL11113410 0.84 SMN1; SMN2 (0.46) AAK1ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL16116897 0.82 AAK1 (0.54) AAK1CTSKALDH1A1TSHRHSD17B10
SCHEMBL11129929 0.81 NR4A2 (0.41) AAK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11112239 0.79 POLB (0.37) AAK1CTSKALDH1A1TSHRHSD17B10
SCHEMBL24696988 0.79 AAK1 (0.57) AAK1CTSKALDH1A1TSHRHSD17B10
SCHEMBL25907951 0.78 AAK1 (0.62) AAK1CTSKALDH1A1P2RY12SMN1; SMN2
SCHEMBL28964326 0.76 AAK1 (0.51) AAK1CTSSCTSKALDH1A1TSHR
SCHEMBL16446063 0.75 AAK1 (0.39) AAK1ALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL9026259 0.74 L3MBTL1 (0.49) AAK1
SCHEMBL22754527 0.72 AAK1 (0.70) AAK1CTSKALDH1A1RAB9ASMN1; SMN2

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 3188/4885CTSS 3691/4885CTSK 4660/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B AAK1 3188/4885CTSS 3691/4885CTSK 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.