SCHEMBL15904115

SCHEMBL15904115

[C]#Cc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.63
HPGD P15428 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
AKR1C3 P42330 1/20 0.56
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 1/20 0.54
DNMT1 P26358 1/20 0.54
PTPN7 P35236 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.54
MLYCD O95822 1/20 0.54
EPHX2 P34913 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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 0.86 PHGDH (0.81) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL7338701 0.85 PHGDH (0.65) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL166200 0.83 PHGDH (0.63) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL21524887 0.83 PHGDH (0.63) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL3644126 0.81 GRM5 (0.71) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL28296651 0.80 HPGD (0.86) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL14661696 0.80 GRM5 (0.68) HPGDTSHRALDH1A1MAPK1POLB
SCHEMBL21360559 0.80 HPGD (0.60) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL3644132 0.80 EPHX2 (0.66) PHGDHHPGDSMN1; SMN2AKR1C3TSHR
SCHEMBL2199279 0.79 PHGDH (0.71) PHGDHHPGDSMN1; SMN2AKR1C3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PHGDH 878/4885HPGD 571/4885SMN1; SMN2 1142/4885

“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.