SCHEMBL6728407

SCHEMBL6728407

Cc1nc(C2=C(c3cc(F)c(S(N)(=O)=O)c(F)c3)CCC2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 5/20 0.40
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 3/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
BLM P54132 1/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ESR2 Q92731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6721399 0.85 PTGS2 (0.46) PTGS2PTGS1ALDH1A1RAB9ANPSR1
SCHEMBL6732857 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7048741 0.79 PTGS2 (0.47) PTGS2PTGS1ALDH1A1RAB9ANPSR1
SCHEMBL6739511 0.79 PTGES2 (0.37) PTGS2ALDH1A1RAB9ANPSR1HTT
SCHEMBL6733339 0.78 PTGS2 (0.41) PTGS2PTGS1ALDH1A1RAB9ANPSR1
SCHEMBL6731825 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6740007 0.77 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6729437 0.77 PTGS2 (0.40) PTGS2PTGS1ALDH1A1RAB9ANPSR1
SCHEMBL6732659 0.75 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6736516 0.74 PTGS2 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
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 PTGS2 10/4885PTGS1 4/4885ALDH1A1 434/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885ALDH1A1 434/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885ALDH1A1 434/4885

“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.