SCHEMBL4913700

SCHEMBL4913700

Cc1cc(C(=O)c2cc(NS(C)(=O)=O)cc(-c3cccc4[nH]ccc34)c2)cc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.54
MTOR P42345 7/20 0.54
PIK3CA P42336 6/20 0.54
PRKDC P78527 2/20 0.54
PIP4K2A P48426 1/20 0.48
PIP4K2B P78356 1/20 0.48
PIP4K2C Q8TBX8 1/20 0.48
PIK3R1 P27986 1/20 0.43
CHEK1 O14757 1/20 0.43
PDCD1 Q15116 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
CD274 Q9NZQ7 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
SCHEMBL4871389 0.89 ATR (0.49) ATRMTORPIK3CAPRKDCPIK3R1
SCHEMBL4781403 0.89 ATR (0.51) ATRMTORPIK3CAPRKDCPIP4K2A
SCHEMBL4796500 0.88 ATR (0.47) ATRMTORPIK3CAPRKDCPIK3R1
SCHEMBL4916252 0.86 ATR (0.46) ATRMTORPIK3CAPRKDCATRIP
SCHEMBL4916260 0.84 ATR (0.46) ATRMTORPIK3CAPRKDCATRIP
SCHEMBL4793956 0.82 ATR (0.50) ATRMTORPIK3CAPRKDCPIK3R1
SCHEMBL3931103 0.82 PIP4K2A (0.52) MTORPIK3CAPRKDCPIP4K2APIP4K2B
SCHEMBL4913243 0.81 ATR (0.42) ATRMTORPIK3CAPRKDCPIK3R1
SCHEMBL4795493 0.81 PIP4K2A (0.48) ATRMTORPIK3CAPRKDCPIP4K2A
SCHEMBL4794222 0.81 PIP4K2A (0.51) MTORPIK3CAPRKDCPIP4K2APIP4K2B

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 ATR 3201/4885MTOR 3473/4885PIK3CA 3607/4885

“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.