SCHEMBL23705394

SCHEMBL23705394

C=CCOC(=O)CCC(CP(=O)(OCC)OCC)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 1/20 0.42
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 2/20 0.37
CETP P11597 3/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL23710374 0.93 PKM (0.47) PKMSMN1; SMN2FOLH1HSD17B10MAPK1
SCHEMBL29520381 0.90 FOLH1 (0.48) FOLH1HSD17B10MAPK1MAPTCETP
SCHEMBL17533680 0.85 TSHR (0.43) PKMSMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL26424063 0.85 FOLH1 (0.46) PKMSMN1; SMN2FOLH1MAPK1MAPT
SCHEMBL6381693 0.82 FOLH1 (0.51) FOLH1HSD17B10MAPK1CETPALDH1A1
SCHEMBL17533574 0.82 TSHR (0.42) PKMSMN1; SMN2FOLH1MAPK1MAPT
SCHEMBL19225427 0.81 SMN1; SMN2 (0.35) PKMSMN1; SMN2FOLH1ALDH1A1MEN1
SCHEMBL17533562 0.78 FOLH1 (0.36) PKMSMN1; SMN2FOLH1MAPK1MAPT
SCHEMBL23710366 0.78 FOLH1 (0.47) SMN1; SMN2FOLH1HSD17B10MAPK1MAPT
SCHEMBL23710384 0.78 FOLH1 (0.47) SMN1; SMN2FOLH1HSD17B10MAPK1MAPT

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 3 patents. 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
EP-4097119-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES The Johns Hopkins University (US) 2022-12-07 EP disclosed
WO-2021155167-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-05 WO 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 PKM 905/4885SMN1; SMN2 3516/4885FOLH1 828/4885

“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.