SCHEMBL6475663

SCHEMBL6475663

COc1ccc(CC(=O)NC2(C(=O)O)CCC(C)C(C)C2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HPGD P15428 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CTSD P07339 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CSNK1D P48730 1/20 0.35
TSHR P16473 1/20 0.34
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL6480022 0.92 P2RX7 (0.42) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL7961900 0.89 ALDH1A1 (0.45) P2RX7MEN1KMT2AALDH1A1HTT
SCHEMBL6475742 0.89 KMT2A (0.42) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL8907184 0.87 SHMT1 (0.45) P2RX7KMT2ASIGMAR1SHMT1SHMT2
SCHEMBL6482463 0.87 MEN1 (0.42) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL8654379 0.86 P2RX7 (0.39) P2RX7ALDH1A1FFAR4SIGMAR1HPGD
SCHEMBL6483794 0.85 MEN1 (0.42) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL6483626 0.85 FFAR4 (0.43) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL6474818 0.84 MEN1 (0.41) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL6483531 0.84 SHMT1 (0.43) P2RX7MEN1KMT2AALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 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-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 P2RX7 898/4885MEN1 3194/4885KMT2A 2190/4885

“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.