SCHEMBL12898741

SCHEMBL12898741

CC(C)(C)[C@H](N)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
PTGS2 P35354 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ECE1 P42892 1/20 0.48
MME P08473 4/20 0.43
ACE P12821 3/20 0.43
DPP4 P27487 2/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
EGLN1 Q9GZT9 2/20 0.38
PTGS1 P23219 2/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
GLO1 Q04760 1/20 0.35
CTH P32929 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6734271 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL7756796 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL12884692 0.83 DPP4 (0.43) ALDH1A1MAPTLMNAPTGS2TDP1
Hydrochloric Acid SCHEMBL7753276 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
Hydrochloric Acid SCHEMBL6741437 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
Hydrochloric Acid SCHEMBL1213483 0.82 DPP4 (0.42) ALDH1A1MAPTLMNAPTGS2TDP1
Hydrochloric Acid SCHEMBL1213490 0.82 DPP4 (0.42) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL13688871 0.82 TET2 (0.45) ALDH1A1LMNADPP4HSD17B10
SCHEMBL2735577 0.78 DPP4 (0.46) ALDH1A1MAPTDPP4PTGS1
SCHEMBL8034816 0.78 DPP4 (0.46) ALDH1A1MAPTDPP4PTGS1

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
WO-2025070711-A1 AFLATOXIN PRODUCTION-INHIBITING BACTERIUM, AFLATOXIN PRODUCTION INHIBITOR PRODUCED BY AFLATOXIN PRODUCTION-INHIBITING BACTERIUM AND METHOD FOR PRODUCING SAME, AND METHOD FOR CONTROLLING AFLATOXIN CONTAMINATION USING SAID BACTERIUM OR SAID INHIBITOR 学校法人帝京大学 2025-04-03 WO disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 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-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 ALDH1A1 1172/4885MAPT 2993/4885LMNA 4121/4885

“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.