Sugi Predict

Sugi Predict / Compounds / SCHEMBL22495528

SCHEMBL22495528

SCHEMBL22495528

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCC(O)C(O)(O)[C@]4(C)[C@H]3CC[C@]12C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.56
▸ EPHA2 P29317 4/20 0.53
▸ CASP7 P55210 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ AKR1B10 O60218 2/20 0.53
▸ AKR1B1 P15121 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MDM4 O15151 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HSPD1 P10809 1/20 0.53
▸ VDR P11473 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ BRCA1 P38398 1/20 0.53

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
SCHEMBL22572509 0.89 GPBAR1 (0.62) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL16225843 0.89 CYP2D6 (0.63) TP53LMNAUSP2POLA1CDC25A
SCHEMBL16227067 0.89 CYP2D6 (0.63) TP53LMNAUSP2POLA1CDC25A
SCHEMBL2155391 0.89 CYP2D6 (0.63) TP53LMNAUSP2POLA1CDC25A
SCHEMBL6064374 0.88 GPBAR1 (0.56) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL6064363 0.88 GPBAR1 (0.61) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL5154446 0.88 VDR (0.69) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL15156945 0.88 VDR (0.69) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL977813 0.88 VDR (0.69) GPBAR1EPHA2CASP7HSD17B10TDP1
SCHEMBL23359045 0.86 ST6GAL1 (0.51) GPBAR1EPHA2CASP7HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4167958-A1 POLYMERIC BILE ACID ESTER NANOPARTICLES COMPRISING AN IMMUNOMODULATOR AGENT TO INDUCE ANTIGEN-SPECIFIC TOLERANCE Yale University (US) 2023-04-26 — — EP disclosed
WO-2021258042-A1 POLYMERIC BILE ACID ESTER NANOPARTICLES COMPRISING AN IMMUNOMODULATOR AGENT TO INDUCE ANTIGEN-SPECIFIC TOLERANCE YALE UNIVERSITY (US) 2021-12-23 — — WO disclosed
US-20200316207-A1 POLYMERIC BILE ACID NANOPARTICLES AS ANTI-INFLAMMATORY AGENTS YALE UNIVERSITY 2020-10-08 — — US disclosed
US-20200315982-A1 POLYMERIC BILE ACID ESTER NANOPARTICLES TO INDUCE TOLERANCE YALE UNIVERSITY 2020-10-08 — — 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 (2 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-20200316207-A1 POLYMERIC BILE ACID NANOPARTICLES AS ANTI-INFLAMMATORY AGENTS GPBAR1, NR1H4, TLR5 GPBAR1 1/4885EPHA2 1537/4885CASP7 1292/4885
US-20200315982-A1 POLYMERIC BILE ACID ESTER NANOPARTICLES TO INDUCE TOLERANCE NR1H4, SLC10A1, ABCB11 GPBAR1 13/4885EPHA2 686/4885CASP7 1494/4885

“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.