SCHEMBL29459236

SCHEMBL29459236

CCC(C(=O)Cl)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
GAA P10253 2/20 0.53
POLB P06746 4/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.45
AADAT Q8N5Z0 1/20 0.44

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
SCHEMBL32691108 1.00 ALDH1A1 (0.53) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6243248 1.00 ALDH1A1 (0.53) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL32691229 0.84 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL3716759 0.84 ALDH1A1 (0.54) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL20835844 0.84 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL10201311 0.84 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL512864 0.84 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6285244 0.84 ALDH1A1 (0.50) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL12291598 0.83 ALDH1A1 (0.60) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL5422287 0.83 ALDH1A1 (0.60) ALDH1A1GAAPOLBKDM4ETP53

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
EP-3924349-B1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES THE ROSKAMP INST (US) 2025-06-25 EP disclosed
US-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases THE ROSKAMP INST (US) 2022-03-17 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-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases NFKBIA, NFRKB, IKBKG ALDH1A1 4214/4885GAA 828/4885POLB 634/4885

“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.