SCHEMBL6790452

SCHEMBL6790452

CC(C(=O)O)c1ccc(N2CCC(O)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.56
CDK2 P24941 3/20 0.56
CCNA1 P78396 3/20 0.56
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.51
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
DRD1 P21728 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL6783378 0.87 LMNA (0.50) CCNA2CDK2CCNA1TP53SMN1; SMN2
SCHEMBL826412 0.77 MEN1 (0.50) KMT2AMEN1NPC1RAB9AHDAC6
SCHEMBL3083319 0.77 MEN1 (0.50) KMT2AMEN1NPC1RAB9AHDAC6
SCHEMBL826237 0.77 MEN1 (0.50) KMT2AMEN1NPC1RAB9AHDAC6
SCHEMBL4847013 0.76 DDB1 (0.43) CCNA2CDK2CCNA1TP53SMN1; SMN2
SCHEMBL5727140 0.75 CCNA2 (0.53) CCNA2CDK2CCNA1TP53SMN1; SMN2
SCHEMBL5726769 0.75 ALDH1A1 (0.62) CCNA2CDK2CCNA1TP53SMN1; SMN2
SCHEMBL5726374 0.75 ALDH1A1 (0.62) CCNA2CDK2CCNA1TP53SMN1; SMN2
SCHEMBL6788681 0.75 NSD2 (0.45) CCNA2CDK2CCNA1HTTLMNA
SCHEMBL5769663 0.75 CCNA2 (0.53) CCNA2CDK2CCNA1TP53SMN1; SMN2

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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 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-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 CCNA2 120/4885CDK2 3/4885CCNA1 65/4885

“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.