SCHEMBL22708679

SCHEMBL22708679

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.59
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
DNMT1 P26358 1/20 0.55
PTPN7 P35236 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
APP P05067 1/20 0.54
AKR1C3 P42330 1/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.52
PKM P14618 1/20 0.51
MLYCD O95822 1/20 0.51
HSP90AA1 P07900 2/20 0.49

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
SCHEMBL14361896 0.90 PHGDH (0.67) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL14358433 0.90 PHGDH (0.67) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL10720943 0.83 PHGDH (0.81) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL1662915 0.82 PHGDH (0.65) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL4906405 0.81 PHGDH (0.63) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL3671231 0.80 APP (0.56) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL3671228 0.80 APP (0.56) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL4107083 0.78 PHGDH (0.49) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL4107086 0.78 PHGDH (0.49) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL1017455 0.78 PHGDH (0.69) PHGDHHPGDSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 PHGDH 1434/4885HPGD 1168/4885SMN1; SMN2 1047/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 PHGDH 1434/4885HPGD 1168/4885SMN1; SMN2 1047/4885

“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.