SCHEMBL16624815

SCHEMBL16624815

COC(=O)C(C)[C@H](C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.36
CA14 Q9ULX7 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
MME P08473 2/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
CA12 O43570 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8870951 0.84 SLC22A6 (0.36) SMN1; SMN2SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL16624811 0.82 TSHR (0.40) SMN1; SMN2KMT2ACA14MMECA12
SCHEMBL16624810 0.82 TSHR (0.40) SMN1; SMN2KMT2ACA14MMECA12
SCHEMBL15392189 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACA14SLC22A6MME
SCHEMBL15392191 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ACA14SLC22A6MME
SCHEMBL1300984 0.80 SLC22A6 (0.39) SMN1; SMN2KMT2ACA14SLC22A6MME
SCHEMBL10714698 0.80 ABCB1 (0.39) SMN1; SMN2KMT2ACA14SLC22A6MME
SCHEMBL15493414 0.79 SMN1; SMN2 (0.33) SMN1; SMN2KMT2ACA14MME
SCHEMBL8472485 0.78 TDP1 (0.52) SMN1; SMN2KMT2ACA14SLC22A6MME
SCHEMBL7344231 0.78 BHMT (0.37) SMN1; SMN2KMT2ACA14MMECACNA2D1

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-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 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 (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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD SMN1; SMN2 3946/4885KMT2A 2511/4885CA14 4401/4885

“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.