SCHEMBL26427016

SCHEMBL26427016

CC(C)(C)OC(=O)CC[C@H](N)C(=O)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
LTA4H P09960 2/20 0.44
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC1A5 Q15758 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RY12 Q9H244 1/20 0.37
HTR1A P08908 1/20 0.36
SCN1A P35498 1/20 0.36

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
SCHEMBL5084405 0.86 ALDH1A1 (0.44) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL5084403 0.86 ALDH1A1 (0.44) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL28374594 0.85 ALDH1A1 (0.42) LTA4HTDP1ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL31375791 0.85 ALDH1A1 (0.42) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL28170754 0.83 ALDH1A1 (0.41) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL1997086 0.82 ALDH1A1 (0.45) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL10390365 0.81 ALDH1A1 (0.41) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL27551719 0.81 ALDH1A1 (0.41) LTA4HTDP1ALDH1A1TSHRMAPK1
SCHEMBL9716820 0.80 LTA4H (0.56) SLC7A5LTA4HALDH1A1MAPK1
SCHEMBL22911218 0.80 LTA4H (0.56) SLC7A5LTA4HALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-27 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-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) SLC10A2, GPBAR1, NR1H4 SLC7A5 1507/4885LTA4H 1295/4885TDP1 3436/4885

“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.