SCHEMBL6789680

SCHEMBL6789680

O=C(O)Cc1ccc(N2C(=O)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.54
CA9 Q16790 8/20 0.54
CA2 P00918 2/20 0.54
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.49
FBP1 P09467 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
GRK2 P25098 1/20 0.45
CASP6 P55212 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CA1 P00915 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ELANE P08246 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CTSG P08311 1/20 0.44

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
SCHEMBL6789676 0.86 NSD2 (0.45) CA12CA9CA2LMNAFBP1
SCHEMBL6903338 0.82 HPGD (0.58) CA12CA9CA2HPGDLMNA
SCHEMBL30367636 0.82 HPGD (0.58) CA12CA9CA2HPGDLMNA
Hydrogen Sulfide SCHEMBL29165723 0.80 HPGD (0.57) CA12CA9CA2HPGDLMNA
SCHEMBL11094946 0.76 CA12 (0.57) CA12CA9CA2HPGDLMNA
SCHEMBL6788104 0.76 NPC1 (0.53) CA12CA9CA2HPGDLMNA
SCHEMBL6561206 0.74 PPARA (0.69) CA12CA9CA2LMNANSD2
SCHEMBL17131821 0.72 FBP1 (0.64) CA12CA9CA2LMNAFBP1
SCHEMBL9769427 0.70 CA12 (1.00) CA12CA9CA2LMNANPC1
SCHEMBL28810226 0.69 CA12 (0.60) CA12CA9CA2LMNAFBP1

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 CA12 4575/4885CA9 3274/4885CA2 3262/4885

“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.