SCHEMBL6475271

SCHEMBL6475271

COc1cccc(Cl)c1CC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 3/20 0.48
SHMT2 P34897 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 3/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.43
PLA2G2A P14555 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
P2RX7 Q99572 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6481421 0.90 THRB (0.46) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL6475294 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL4424929 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL4435090 0.83 LPAR1 (0.41) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL6473687 0.80 LPAR1 (0.42) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL6475063 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL4428390 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNATHRBMAPK1
SCHEMBL31446274 0.78 AKR1B1 (0.67) SMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL4435429 0.78 AKR1B1 (0.67) SMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL4433288 0.78 TAS1R3 (0.42) SMN1; SMN2ALDH1A1LMNATHRBMAPK1

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 SHMT1 4110/4885SHMT2 3637/4885SMN1; SMN2 3528/4885

“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.