SCHEMBL1017455

SCHEMBL1017455

CC(=O)c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.69
HPGD P15428 6/20 0.65
ALDH1A1 P00352 2/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
TP53 P04637 1/20 0.62
AKR1C3 P42330 1/20 0.61
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
POLB P06746 1/20 0.58
DNMT1 P26358 1/20 0.58
PTPN7 P35236 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PKM P14618 1/20 0.58
MLYCD O95822 1/20 0.58
CYP1A1 P04798 1/20 0.55

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
SCHEMBL10720943 0.90 PHGDH (0.81) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL4921355 0.88 HPGD (0.81) HPGDALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL12871 0.85 PHGDH (0.69) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL28296651 0.85 HPGD (0.86) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL4696938 0.83 HPGD (0.72) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL2199279 0.83 PHGDH (0.71) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL11376680 0.82 HPGD (0.76) HPGDALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL103440 0.81 PHGDH (0.69) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL9674034 0.81 PHGDH (0.69) PHGDHHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL2999369 0.81 PHGDH (0.69) PHGDHHPGDALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 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 (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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 PHGDH 4223/4885HPGD 2061/4885ALDH1A1 2564/4885

“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.