SCHEMBL16618083

SCHEMBL16618083

CCOC(=O)C(=O)CC(=O)c1cnc(Oc2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.48
ERCC5 P28715 2/20 0.46
FEN1 P39748 2/20 0.46
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 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
SCHEMBL2315764 0.87 HPGDS (0.50) HPGDSERCC5FEN1FOSJUN
SCHEMBL19533658 0.85 CTSA (0.49) HPGDSERCC5FEN1POLBALDH1A1
SCHEMBL19545100 0.82 ERCC5 (0.68) ERCC5FEN1POLBALDH1A1SMN1; SMN2
SCHEMBL14966980 0.81 HPGDS (0.60) HPGDSFOSJUNNFKB1NFKB2
SCHEMBL70968 0.79 ERCC5 (0.58) ERCC5FEN1POLBALDH1A1SMN1; SMN2
SCHEMBL3539766 0.76 POLB (0.53) POLBCYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL19533568 0.75 PTGS2 (0.48) ERCC5FEN1POLBALDH1A1SMN1; SMN2
SCHEMBL2315396 0.75 PTPN1 (0.52) HPGDSERCC5FEN1CYP1A2CYP2C19
SCHEMBL6365441 0.74 HAO1 (0.63) ERCC5FEN1POLBCYP1A2L3MBTL1
SCHEMBL3221698 0.73 HPGDS (0.58) HPGDSL3MBTL1ALDH1A1SMN1; SMN2NPC1

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
EP-2350059-B1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEM CO (US) 2016-03-23 EP disclosed
US-9126973-B2 Multiheteroaryl compounds as inhibitors of H-PGDS and their use for treating prostaglandin D2 mediated diseases CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-08 US disclosed
US-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY, INCORPORATED 2015-04-09 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 (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-20150099748-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES HPGDS 1/4885ERCC5 4025/4885FEN1 3679/4885

“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.