SCHEMBL9868912

SCHEMBL9868912

CC(C)C[C@@H]1NC(=O)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
VDR P11473 3/20 0.33
PRCP P42785 1/20 0.32
CCR5 P51681 2/20 0.30

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
SCHEMBL5924360 1.00 GAA (0.38) GAALMNACYP3A4CYP2C9CYP2C19
SCHEMBL10447820 0.80
SCHEMBL5924537 0.80 SORT1 (0.30)
SCHEMBL5924293 0.80 ROCK2 (0.32)
SCHEMBL10447580 0.72 SMN1; SMN2 (0.34) MEN1KMT2A
SCHEMBL10326864 0.72 PRCP (0.44) GAAHTTPAX8VDRPRCP
SCHEMBL6438511 0.72 ITGB3 (0.41) GAALMNACYP3A4CYP2C9CYP2C19
SCHEMBL2863781 0.72 ITGB3 (0.41) GAALMNACYP3A4CYP2C9CYP2C19
SCHEMBL3228085 0.71 GAA (0.36) GAALMNACYP3A4CYP2C9CYP2C19
SCHEMBL31692716 0.71 GAA (0.36) GAALMNACYP3A4CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160357901-A1 PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS BURGESS KEVIN (US) 2016-12-08 US disclosed
US-20160357901-A1 PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS BURGESS KEVIN (US) 2016-12-08 US disclosed
US-20130288331-A1 PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS BURGESS KEVIN (US) 2013-10-31 US disclosed
US-20130288331-A1 PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS BURGESS KEVIN (US) 2013-10-31 US disclosed
US-5061808-A 2-oxo-1-pyrrolidine carboxylic acid esters WARNER-LAMBERT COMPANY (US) 1991-10-29 US disclosed
US-4876343-A Process for statine and statine analogs WARNER-LAMBERT COMPANY (US) 1989-10-24 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-20130288331-A1 PEPTIDOMIMETIC COMPOUNDS AND RELATED METHODS SERBP1, PAIP1, DNPEP GAA 3652/4885LMNA 3937/4885CYP3A4 4044/4885

“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.