SCHEMBL3010586

SCHEMBL3010586

CC(CCC(=O)c1ccc(Cl)cc1)C(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HRH3 Q9Y5N1 4/20 0.48
POLB P06746 2/20 0.47
USP5 P45974 1/20 0.46
GSK3B P49841 2/20 0.46
HSD11B1 P28845 2/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7426211 0.81 TRPA1 (0.54) ERCC5FEN1HRH3POLBUSP5
SCHEMBL27909990 0.79 L3MBTL1 (0.59) ERCC5FEN1HRH3POLBGSK3B
SCHEMBL16552727 0.74 GSK3B (0.70) ERCC5FEN1GSK3BHSD11B1MAPT
SCHEMBL9172112 0.73 GSK3B (0.48) ERCC5FEN1HRH3GSK3BHSD11B1
SCHEMBL21542529 0.73 L3MBTL1 (0.45) ERCC5FEN1HRH3POLBUSP5
SCHEMBL9719602 0.73 GSK3B (0.55) ERCC5FEN1HRH3GSK3BHSD11B1
SCHEMBL8306301 0.73 POLB (0.64) ERCC5FEN1POLBGSK3BMAPT
SCHEMBL9124420 0.71 POLB (0.54) ERCC5FEN1POLBGSK3BMAPT
SCHEMBL392858 0.71 NR4A2 (0.65) ERCC5FEN1USP5GSK3BHSD11B1
SCHEMBL28372673 0.71 L3MBTL1 (0.72) ERCC5FEN1GSK3BHSD11B1MAPT

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-8431609-B2 Process for preparation of pyrazole derivatives SHAH DARMESH MAHENDRABHAI (IN) 2013-04-30 US disclosed
US-20100190988-A1 PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES SHAH DARMESH MAHENDRABHAI 2010-07-29 US disclosed
WO-2008102367-A1 PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES SHAH DARMESH MAHENDRABHAI (IN) 2008-08-28 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-20100190988-A1 PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES PDXK, PYCR1, PPOX ERCC5 4296/4885FEN1 2425/4885HRH3 2598/4885

“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.