SCHEMBL6789700

SCHEMBL6789700

CC(C(=O)O)c1ccc(N2C(=O)CCC2C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.42
PTGS2 P35354 8/20 0.42
PTGS1 P23219 8/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRK1 P41145 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
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD1 P21728 1/20 0.41
RAB9A P51151 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
SCHEMBL6788699 0.82 CCNA2 (0.55) PTGS2PTGS1HTTKMT2AOPRK1
SCHEMBL28820301 0.80 P2RX7 (0.49) PHGDHKMT2AMEN1HDAC6CNR2
SCHEMBL6787130 0.79 PTGER2 (0.47) PTGS2PTGS1HTTKMT2AOPRK1
SCHEMBL6789385 0.79 PTGER2 (0.46) PTGS2PTGS1HTTKMT2AOPRK1
SCHEMBL7624014 0.79 ESR1 (0.45) KMT2ACYP2C19HDAC6CNR2PTGER2
SCHEMBL6783997 0.78 CCNA2 (0.60) PHGDHPTGS2PTGS1HTTKMT2A
SCHEMBL9105812 0.78 PHGDH (0.53) PHGDHKMT2ASMN1; SMN2MEN1CYP2C19
SCHEMBL9105795 0.78 PHGDH (0.53) PHGDHKMT2ASMN1; SMN2MEN1CYP2C19
SCHEMBL13285265 0.77 CNR2 (0.51) KMT2ANPC1RAB9ACNR2
SCHEMBL28530745 0.77 TDP1 (0.52) KMT2ASMN1; SMN2MEN1LMNACYP2C19

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 PHGDH 237/4885PTGS2 2574/4885PTGS1 1950/4885

“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.