SCHEMBL6480017

SCHEMBL6480017

COc1ccc(C(Cl)C(=O)NC(CC(C)C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.50
MMP1 P03956 4/20 0.49
FOLH1 Q04609 2/20 0.47
MME P08473 2/20 0.47
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
MMP2 P08253 1/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
ADAM17 P78536 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7960075 0.86 GPR88 (0.59) ANPEPMMP1FOLH1MMEMMP3
SCHEMBL8653691 0.85 MAPK1 (0.53) ANPEPFOLH1MMEALDH1A1
SCHEMBL6481469 0.82 SMN1; SMN2 (0.52) TAS1R3TAS1R1ALDH1A1
SCHEMBL6474769 0.80 MMP9 (0.48) MMP1MMEMMP3MMP9MMP2
SCHEMBL6474666 0.79 MME (0.52) ANPEPFOLH1MME
SCHEMBL6474415 0.78 CYP2C9 (0.47) ALDH1A1
SCHEMBL28022564 0.78 CTSS (0.64) CTSLCTSSCTSKTAS1R3TAS1R1
Acetylleucine SCHEMBL27406784 0.77 ALDH1A1 (0.59) ANPEPMMP1TAS1R3TAS1R1ALDH1A1
SCHEMBL5869765 0.77 FOLH1 (0.52) ANPEPFOLH1CTSLCTSSCTSB
SCHEMBL15251955 0.77 HTT (0.58) ANPEPMMP1FOLH1MMP3MMP9

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 ANPEP 2333/4885MMP1 3464/4885FOLH1 4022/4885

“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.