Sugi Predict

Sugi Predict / Compounds / SCHEMBL7124131

SCHEMBL7124131

SCHEMBL7124131

CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCC(O)(O)C(O)(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ AKR1B10 O60218 2/20 0.49
▸ AKR1B1 P15121 2/20 0.49
▸ EPHA2 P29317 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ EFNA1 P20827 1/20 0.49
▸ PSEN1 P49768 1/20 0.49
▸ PSEN2 P49810 1/20 0.49
▸ APH1B Q8WW43 1/20 0.49
▸ NCSTN Q92542 1/20 0.49
▸ APH1A Q96BI3 1/20 0.49
▸ PSENEN Q9NZ42 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CASP7 P55210 3/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MAPK1 P28482 2/20 0.48

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
SCHEMBL1492255 1.00 GPBAR1 (0.49) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1492159 0.89 CYP2D6 (0.62) LMNAMEN1KMT2ATP53USP2
SCHEMBL1492095 0.87 GPBAR1 (0.67) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1618569 0.86 GPBAR1 (0.54) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1492105 0.85 OSBP (0.50) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL4182461 0.84 GPBAR1 (0.51) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL16906787 0.84 OSBP (0.53) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL7125036 0.81 GRIN2A (0.53) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1492258 0.81 GRIN2A (0.53) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL19506280 0.79 GRIN2A (0.70) GPBAR1HSD17B10TDP1AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660720-B2 Targeted oligonucleotide conjugates ISIS PHARMACEUTICALS, INC. 2003-12-09 — — US disclosed
US-20030130220-A1 Targeted oligonucleotide conjugates IONIS PHARMACEUTICALS, INC. 2003-07-10 — — US disclosed
US-6525031-B2 Complexes carry primary moieties, chiefly therapeutic, to target cells; feature cell surface receptor ligands to provide specificity; ligands are preferably bound to primary moieties through polyfunctional manifold compounds. ISIS PHARMACEUTICALS, INC. 2003-02-25 — — US disclosed
US-20020058639-A1 Targeted oligonucleotide conjugates ISIS PHARMACEUTICALS, INC. 2002-05-16 — — US disclosed
US-6300319-B1 COMPLEX WITH MODULATION OF CELLS SURFACE RECEPTOR LIGANDS ISIS PHARMACEUTICALS, INC. 2001-10-09 — — US disclosed
WO-1999065925-A1 TARGETED OLIGONUCLEOTIDE CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1999-12-23 — — 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 (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-20030130220-A1 Targeted oligonucleotide conjugates CD47, CD44, FOLR1 GPBAR1 188/4885HSD17B10 3969/4885TDP1 2611/4885
US-20020058639-A1 Targeted oligonucleotide conjugates CD47, CD44, FOLR1 GPBAR1 188/4885HSD17B10 3969/4885TDP1 2611/4885

“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.