SCHEMBL25711249

SCHEMBL25711249

C[C@H](CCC(N)=O)[C@H]1CCC2[C@@H]3CC[C@@H]4CCCC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.82
EPHA2 P29317 3/20 0.82
HSD17B10 Q99714 3/20 0.82
TDP1 Q9NUW8 3/20 0.82
AKR1B10 O60218 2/20 0.82
AKR1B1 P15121 2/20 0.82
LMNA P02545 2/20 0.82
EFNA1 P20827 1/20 0.82
PSEN1 P49768 1/20 0.82
PSEN2 P49810 1/20 0.82
APH1B Q8WW43 1/20 0.82
NCSTN Q92542 1/20 0.82
APH1A Q96BI3 1/20 0.82
PSENEN Q9NZ42 1/20 0.82
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
CASP7 P55210 3/20 0.61
HIF1A Q16665 3/20 0.61
TP53 P04637 2/20 0.61
MAPK1 P28482 2/20 0.61

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
SCHEMBL18733391 1.00 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL22769482 1.00 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25710069 1.00 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL13592769 1.00 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19713107 1.00 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL4008010 1.00 GPBAR1 (0.82) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28367672 0.90 GPBAR1 (0.77) GPBAR1EPHA2HSD17B10TDP1AKR1B10
Ursocholanic Acid SCHEMBL25023044 0.90 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL4740095 0.90 GPBAR1 (0.83) GPBAR1EPHA2HSD17B10TDP1AKR1B10
Ursocholanic Acid SCHEMBL190519 0.90 GPBAR1 (1.00) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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
WO-2023168249-A2 CYSTEAMIDES, THERAPEUTIC COMPOSITIONS THEREOF, AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-09-07 WO disclosed
US-20230183292-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-06-15 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-20230183292-A1 IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 GPBAR1 1598/4885EPHA2 1691/4885HSD17B10 4243/4885

“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.