SCHEMBL6729559

SCHEMBL6729559

Cc1ccc(C2=C(c3cc(F)c(S(C)(=O)=O)c(F)c3)CC=C2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGS1 P23219 3/20 0.34
NISCH Q9Y2I1 1/20 0.33
ERN1 O75460 1/20 0.32
HSD11B1 P28845 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL6739666 0.94 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6739567 0.91 PTGS2 (0.43) PTGS2PDE3BPDE3APTGS1
SCHEMBL6780759 0.90 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL6735172 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6735615 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6736301 0.88 PTGS2 (0.40) PTGS2PDE3BPDE3APTGS1
SCHEMBL6729355 0.88 PTGS2 (0.41) PTGS2PDE3BPDE3APTGS1
SCHEMBL6729128 0.88 PTGS2 (0.46) PTGS2PDE3BPDE3APTGS1
SCHEMBL6739001 0.88 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL6735821 0.87 EPAS1 (0.32) PTGS2PTGS1

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 5 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-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 PTGS2 10/4885PDE3B 2821/4885PDE3A 2719/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PDE3B 2821/4885PDE3A 2719/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PDE3B 2821/4885PDE3A 2719/4885

“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.