Sugi Predict

Sugi Predict / Compounds / SCHEMBL4533108

SCHEMBL4533108

SCHEMBL4533108

CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H](C(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ GPR119 Q8TDV5 3/20 0.47
▸ RECQL P46063 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ USP30 Q70CQ3 2/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN6 P29350 1/20 0.43

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
SCHEMBL4533115 1.00 HPGD (0.49) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL4533109 1.00 HPGD (0.49) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL30706755 0.91 HPGD (0.57) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL21987479 0.90 PDE4B (0.46) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL31153811 0.90 PDE4B (0.46) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL8872296 0.90 PDE4B (0.46) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL21987480 0.90 PDE4B (0.46) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL25226719 0.89 HPGD (0.48) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL2158173 0.89 RECQL (0.49) HPGDGPR119RECQLEPHX1HSD17B10
SCHEMBL16584336 0.89 HPGD (0.48) HPGDGPR119RECQLEPHX1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 — — US disclosed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 — — US disclosed
US-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-08 — — 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-20030087890-A1 1,2,-Disubstituted cyclic inhibitors of matrix metalloproteases and TNF-alpha MMP1, MMP8, MMP9 HPGD 266/4885GPR119 4388/4885RECQL 4397/4885
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A HPGD 536/4885GPR119 1030/4885RECQL 3496/4885

“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.