SCHEMBL23836662

SCHEMBL23836662

CC(C)(C)CC(N)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTGS2 P35354 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ECE1 P42892 1/20 0.42
MME P08473 3/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
GLO1 Q04760 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
DPP4 P27487 1/20 0.34
ROCK2 O75116 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
CIT O14578 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
SCHEMBL18712170 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL14347046 0.80 DPP7 (0.39) DPP4ROCK2DPP7CIT
SCHEMBL17546219 0.78 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL540701 0.78 MME (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL14850398 0.78 MME (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL24996110 0.77 CYP2D6 (0.43) LMNAMAPTDPP4ROCK2DPP7
SCHEMBL12549391 0.77 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30861943 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL23836665 0.76 DPP7 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL18712169 0.76 DPP7 (0.45) TDP1DPP7

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-20210337850-A1 SAVOURY AND MOUTHFULNESS TASTE ENHANCERS LUCTA, S.A. (ES) 2021-11-04 US disclosed
US-11124525-B2 Heteroaryl compounds useful as MK2 inhibitors CELGENE CAR LLC (BM) 2021-09-21 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-20210337850-A1 SAVOURY AND MOUTHFULNESS TASTE ENHANCERS KCNJ6, TAS1R1, TAS2R5 ALDH1A1 1833/4885LMNA 3556/4885MAPT 4285/4885
US-11124525-B2 Heteroaryl compounds useful as MK2 inhibitors MKNK2, MKRN3, MKNK1 ALDH1A1 4142/4885LMNA 4553/4885MAPT 2463/4885

“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.