SCHEMBL17820402

SCHEMBL17820402

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCCN4CCS(O)(O)CC4)cc2S3)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.46
PIK3C3 Q8NEB9 4/20 0.46
PIK3CA P42336 2/20 0.46
PRKDC P78527 2/20 0.39
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RPS6KA3 P51812 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR7 P34969 1/20 0.33
KDM1A O60341 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL17820405 0.93 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820554 0.93 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907161 0.92 ATM (0.53) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821078 0.90 ATM (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820239 0.90 ATM (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819578 0.90 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820250 0.89 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820576 0.88 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819764 0.88 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821114 0.88 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB

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-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ATM 3209/4885PIK3C3 3047/4885PIK3CA 4857/4885

“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.