SCHEMBL6732090

SCHEMBL6732090

CSc1c(F)cc(CC(=O)c2ccccc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
SRD5A2 P31213 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLAU P00749 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 4/20 0.38
GSK3B P49841 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
TRPA1 O75762 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1515699 0.77 MAPT (0.51) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL4745782 0.76 MAPT (0.50) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL6168844 0.73 MAPT (0.51) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL23621610 0.73 MAPT (0.50) MAPTL3MBTL1SRD5A2MAPK1SMN1; SMN2
SCHEMBL7928075 0.73 KMT2A (0.53) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL6721408 0.73 MAPT (0.47) MAPTL3MBTL1SRD5A2KDM4ESMN1; SMN2
Methyl Alcohol SCHEMBL11602292 0.72 MAPT (0.68) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL7199268 0.71 MAPT (0.67) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL24800 0.71 MAPT (0.73) MAPTL3MBTL1SRD5A2KDM4ETDP1
SCHEMBL71493 0.71 L3MBTL1 (0.56) MAPTL3MBTL1SRD5A2KDM4ETDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 (3 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-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPT 4545/4885L3MBTL1 1836/4885SRD5A2 1341/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPT 4545/4885L3MBTL1 1836/4885SRD5A2 1341/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPT 4545/4885L3MBTL1 1836/4885SRD5A2 1341/4885

“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.