SCHEMBL23710374

SCHEMBL23710374

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.45
CASP1 P29466 1/20 0.38
TSHR P16473 1/20 0.37
FAAH O00519 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CETP P11597 3/20 0.36
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL23705394 0.93 PKM (0.45) PKMSMN1; SMN2FOLH1CASP1TSHR
SCHEMBL26424063 0.90 FOLH1 (0.46) PKMSMN1; SMN2FOLH1CASP1TSHR
SCHEMBL6381693 0.90 FOLH1 (0.51) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL19225427 0.86 SMN1; SMN2 (0.35) PKMSMN1; SMN2FOLH1TSHRALDH1A1
SCHEMBL23710384 0.85 FOLH1 (0.47) SMN1; SMN2FOLH1TSHRALDH1A1MAPK1
SCHEMBL23710366 0.85 FOLH1 (0.47) SMN1; SMN2FOLH1TSHRALDH1A1MAPK1
SCHEMBL26427320 0.85 FOLH1 (0.47) SMN1; SMN2FOLH1TSHRALDH1A1MAPK1
SCHEMBL23705052 0.83 FOLH1 (0.62) FOLH1TSHRALDH1A1CETP
SCHEMBL19220641 0.82 LMNA (0.36) PKMSMN1; SMN2FOLH1ALDH1A1MAPK1
SCHEMBL17533764 0.82 SMN1; SMN2 (0.36) PKMSMN1; SMN2FOLH1TSHR

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-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
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.