SCHEMBL6788098

SCHEMBL6788098

CC(C(=O)O)c1ccc(N2C(=O)c3ccccc3S2(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 2/20 0.53
CYP2D6 P10635 1/20 0.53
PGR P06401 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
DRD1 P21728 1/20 0.53
HTT P42858 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PTGS2 P35354 7/20 0.45

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
SCHEMBL6788104 0.87 NPC1 (0.53) LMNAMEN1KMT2ATP53SMN1; SMN2
SCHEMBL28096156 0.81 HPGD (0.43) LMNASMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL6789729 0.76 KMT2A (0.62) LMNAMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6789676 0.76 NSD2 (0.45) LMNAMEN1KMT2ACYP2D6GAA
Dexindoprofen SCHEMBL286896 0.69 NPC1 (1.00) LMNAMEN1KMT2ATP53SMN1; SMN2
(R)-Indoprofen SCHEMBL5419435 0.69 NPC1 (1.00) LMNAMEN1KMT2ATP53SMN1; SMN2
Indoprofen SCHEMBL29361927 0.69 NPC1 (1.00) LMNAMEN1KMT2ATP53SMN1; SMN2
Indoprofen SCHEMBL25137 0.69 NPC1 (1.00) LMNAMEN1KMT2ATP53SMN1; SMN2
(R)-Indoprofen SCHEMBL30910963 0.69 NPC1 (1.00) LMNAMEN1KMT2ATP53SMN1; SMN2
(R)-Indoprofen SCHEMBL30910962 0.69 NPC1 (1.00) LMNAMEN1KMT2ATP53SMN1; 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 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 LMNA 3380/4885MEN1 3802/4885KMT2A 1495/4885

“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.