SCHEMBL6789676

SCHEMBL6789676

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PTGER4 P35408 4/20 0.45
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
AKR1B1 P15121 1/20 0.43
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL6789680 0.86 CA12 (0.54) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL28096156 0.83 HPGD (0.43) CA12CA9CA2CYP2D6LMNA
SCHEMBL6788098 0.76 LMNA (0.53) PTGER4CYP1A2CYP2D6LMNAGAA
SCHEMBL6561206 0.74 PPARA (0.69) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL4200619 0.68 NPC1 (0.67) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL3940606 0.67 HDAC1 (0.56) CA12CA9CA2PPARAMEN1
SCHEMBL29019945 0.66 CA9 (0.44) CA12CA9CA2LMNAFBP1
SCHEMBL18427884 0.66 ABCC4 (0.76) NSD2POLBGRK2CASP6CTDSP1
SCHEMBL23699758 0.65 CYP2D6 (0.50) POLBCA12CA9CA2CYP2D6
SCHEMBL6903338 0.65 HPGD (0.58) CA12CA9CA2LMNA

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 NSD2 1481/4885POLB 631/4885GRK2 814/4885

“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.