SCHEMBL6789385

SCHEMBL6789385

CC(C(=O)O)c1ccc(N2C(=O)CCC2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 10/20 0.46
PTGS1 P23219 6/20 0.45
PTGS2 P35354 6/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRK1 P41145 1/20 0.45
PTGER3 P43115 5/20 0.45
PTGER4 P35408 1/20 0.44
PTGDR Q13258 4/20 0.44
PTGER1 P34995 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 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
SCHEMBL6787130 0.90 PTGER2 (0.47) PTGER2PTGS1PTGS2HTTKMT2A
SCHEMBL6788699 0.82 CCNA2 (0.55) PTGER2PTGS1PTGS2HTTKMT2A
SCHEMBL6789700 0.79 PHGDH (0.42) PTGER2PTGS1PTGS2HTTKMT2A
SCHEMBL17501926 0.78 PTGER2 (0.44) PTGER2PTGER3PTGER4PTGDRHDAC6
SCHEMBL16096237 0.78 PTGER2 (0.44) PTGER2PTGER3PTGER4PTGDRHDAC6
SCHEMBL6783997 0.78 CCNA2 (0.60) PTGS1PTGS2HTTKMT2AOPRK1
SCHEMBL15491993 0.78 PTGER2 (0.53) PTGER2PTGER3PTGER4PTGDRPTGER1
SCHEMBL6787309 0.77 PTGER2 (0.47) PTGER2PTGER3PTGER4PTGDRHDAC6
SCHEMBL13693092 0.76 PTGER2 (0.65) PTGER2PTGER3PTGER4PTGDRPTGER1
SCHEMBL19144203 0.76 PTGER2 (0.65) PTGER2PTGER3PTGER4PTGDRPTGER1

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 PTGER2 4073/4885PTGS1 1950/4885PTGS2 2574/4885

“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.