SCHEMBL6729756

SCHEMBL6729756

Cc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.51
PAX8 Q06710 1/20 0.46
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MT-CO2 P00403 3/20 0.40
PTGS1 P23219 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL6516199 0.93 PTGS2 (0.56) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6721876 0.90 PTGS2 (0.48) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6723814 0.89 PTGS2 (0.52) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6730181 0.88 PTGS2 (0.56) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6725780 0.88 PTGS2 (0.53) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6729883 0.87 PTGS2 (0.50) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6723087 0.87 PTGS2 (0.52) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6730227 0.86 PTGS2 (0.57) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6723394 0.86 PTGS2 (0.68) PTGS2PAX8MT-CO2PTGS1CA12
SCHEMBL6825520 0.86 PTGS2 (0.54) PTGS2PAX8MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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 (2 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885PAX8 3383/4885MEN1 4391/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PAX8 3355/4885MEN1 4477/4885

“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.