SCHEMBL6735522

SCHEMBL6735522

Cc1nc(C2=C(c3cc(F)c(S(C)(=O)=O)cc3F)COC2=O)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.38
PTGS1 P23219 5/20 0.38
HTT P42858 1/20 0.34
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
VSIR Q9H7M9 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ABCB11 O95342 1/20 0.32
MT-CO2 P00403 1/20 0.32
HTR1A P08908 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
SCHEMBL6736715 0.91 PTGES2 (0.36) PTGS2PTGS1HTTSCN9AALDH1A1
SCHEMBL6725412 0.84 PTGS2 (0.49) PTGS2PTGS1HTTALDH1A1NPC1
SCHEMBL6728564 0.84 PTGS2 (0.38) PTGS2PTGS1ALDH1A1NPC1RAB9A
SCHEMBL6732991 0.82 PTGS2 (0.41) PTGS2PTGS1ALDH1A1ABCB11MT-CO2
SCHEMBL6740552 0.81 PTGS2 (0.46) PTGS2PTGS1HTTALDH1A1NPC1
SCHEMBL6732141 0.78 PTGS2 (0.57) PTGS2PTGS1ALDH1A1ABCB11MT-CO2
SCHEMBL6741086 0.78 PTGS2 (0.47) PTGS2PTGS1ALDH1A1ABCB11MT-CO2
SCHEMBL6721681 0.77 PTGS2 (0.43) PTGS2PTGS1ALDH1A1NPC1RAB9A
SCHEMBL6732420 0.77 PTGS2 (0.54) PTGS2PTGS1ALDH1A1ABCB11MT-CO2
SCHEMBL6731311 0.77 PTGS2 (0.42) PTGS2PTGS1ALDH1A1ABCB11MT-CO2

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 10/4885PTGS1 4/4885HTT 3655/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885HTT 3655/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885HTT 3655/4885

“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.