SCHEMBL21980341

SCHEMBL21980341

CC[C@H](NC(=O)O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.56
PIK3CG P48736 3/20 0.56
PIK3R2 O00459 2/20 0.56
PIK3R1 P27986 9/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CA P42336 1/20 0.54
HDAC6 Q9UBN7 1/20 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
SCHEMBL16583229 1.00 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL16583499 0.92 PIK3CD (0.58) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL15812940 0.90 PIK3CD (0.53) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL16583405 0.90 PIK3R2 (0.55) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL15864460 0.89 PIK3CD (0.49) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL16583322 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL16583221 0.88 PIK3CD (0.51) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL17335271 0.87 PIK3CD (0.52) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL22039327 0.87 PIK3R2 (0.51) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB
SCHEMBL18188636 0.87 PIK3R2 (0.51) PIK3CDPIK3CGPIK3R2PIK3R1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER HDAC1, HDAC3, HDAC4 PIK3CD 17/4885PIK3CG 24/4885PIK3R2 22/4885

“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.