SCHEMBL16299784

SCHEMBL16299784

C[C@H](CCC(=O)O)[C@H]1CCC2C3CCC4C[C@@H](NC(=O)CCCCCN=[N+]=[N-])CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.60
▸ CASP7 P55210 3/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ GPBAR1 Q8TDU6 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ USP2 O75604 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ EPHA2 P29317 2/20 0.60
▸ AKR1B10 O60218 2/20 0.60
▸ AKR1B1 P15121 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MDM4 O15151 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HSPD1 P10809 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ PTPN2 P17706 1/20 0.60
▸ PTPN1 P18031 1/20 0.60

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
SCHEMBL16299787 0.92 GPBAR1 (0.62) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855456 0.90 VDR (0.70) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL2178558 0.86 GPBAR1 (0.59) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL10226261 0.85 GPBAR1 (0.61) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL10226251 0.85 GPBAR1 (0.61) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL10226248 0.84 VDR (0.62) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL16299772 0.84 GPBAR1 (0.52) VDRGPBAR1USP2EPHA2CYP3A4
SCHEMBL22855309 0.83 VDR (0.73) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855508 0.82 EPHA2 (0.65) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855506 0.82 EPHA2 (0.65) VDRCASP7HSD17B10GPBAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2019-02-14 — — US disclosed
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 — — US disclosed
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 — — US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 — — US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 — — 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 (3 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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 VDR 1584/4885CASP7 4689/4885HSD17B10 4269/4885
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 VDR 1584/4885CASP7 4689/4885HSD17B10 4269/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 VDR 1584/4885CASP7 4689/4885HSD17B10 4269/4885

“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.

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