SCHEMBL3581987

SCHEMBL3581987

CC1(C)OC(=O)C(CCCCC(=O)O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
GLS O94925 1/20 0.40
PPARG P37231 5/20 0.40
ABL1 P00519 2/20 0.40
IDE P14735 2/20 0.40
RIN1 Q13671 2/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PTPN1 P18031 4/20 0.37
ACP1 P24666 2/20 0.37
CDC25B P30305 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 4/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
GPR84 Q9NQS5 4/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
AKR1B1 P15121 1/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL11191261 0.98 PPARG (0.42) TDP1GLSPPARGABL1IDE
SCHEMBL3587679 0.81 TSHR (0.40) TDP1GLSPPARGNR2E3NCOR2
SCHEMBL200462 0.79 GLS (0.47) GLSTSHRKMT2A
SCHEMBL1005092 0.79 GLS (0.47) GLSTSHRKMT2A
SCHEMBL8775616 0.77 PTPN1 (0.44) GLSPTPN1ACP1CDC25B
SCHEMBL8775465 0.77 PTPN1 (0.44) GLSPTPN1ACP1CDC25B
SCHEMBL8775455 0.77 PTPN1 (0.44) GLSPTPN1ACP1CDC25B
SCHEMBL8396727 0.75 MAPT (0.35) GLSHDAC11
SCHEMBL2158180 0.74 GLS (0.40) GLSL3MBTL1
SCHEMBL9460988 0.73 GLS (0.46) GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
CN-101641341-A Amide compounds and their use as antitumor agents SIGMA TAU IND FARMACEUTI IT 2010-02-03 CN disclosed
EP-2137169-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-12-30 EP disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 WO disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH TDP1 4833/4885GLS 431/4885PPARG 1330/4885

“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.