SCHEMBL6790722

SCHEMBL6790722

NC(=O)C1CCC(=O)N1c1ccc(CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
GRK2 P25098 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PTGER2 P43116 2/20 0.41
PTGER3 P43115 1/20 0.41
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
QPCT Q16769 1/20 0.41
ENPP2 Q13822 2/20 0.39
P2RX7 Q99572 2/20 0.39
PTGDR Q13258 1/20 0.38
CA2 P00918 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL28820301 0.82 P2RX7 (0.49) PTGER2PTGER3P2RX7KMT2A
SCHEMBL7624014 0.81 ESR1 (0.45) POLBPTGER2PTGER3P2RX7KMT2A
SCHEMBL6783035 0.80 KLKB1 (0.46) ITGB3ITGA2BNSD2POLBGRK2
SCHEMBL13285265 0.80 CNR2 (0.51) P2RX7CA2KMT2A
SCHEMBL6787309 0.79 PTGER2 (0.47) ITGB3ITGA2BNSD2POLBGRK2
SCHEMBL6789962 0.78 PTGER2 (0.49) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL6789099 0.77 TNKS (0.48) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL6994953 0.77 P2RX7 (0.37) PTGER2PTGER3P2RX7KMT2A
SCHEMBL28530745 0.76 TDP1 (0.52) POLBKMT2ALMNATSHR
SCHEMBL6789700 0.76 PHGDH (0.42) PTGER2PTGER3KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 ITGB3 3205/4885ITGA2B 4187/4885NSD2 1481/4885

“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.