SCHEMBL7048741

SCHEMBL7048741

Cc1nc(C2=C(c3ccc(S(C)(=O)=O)c(F)c3)CCC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.37
MMP12 P39900 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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 0.90 PTGS2 (0.46) PTGS2ALDH1A1RAB9ANPC1HPGD
SCHEMBL6729437 0.82 PTGS2 (0.40) PTGS2ALDH1A1RAB9ANPC1HPGD
SCHEMBL7047115 0.81 PTGS2 (0.47) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7047334 0.80 PTGS2 (0.48) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6725412 0.79 PTGS2 (0.49) PTGS2ALDH1A1RAB9ANPC1HPGD
SCHEMBL6728407 0.79 PTGS2 (0.43) PTGS2ALDH1A1RAB9ANPC1HPGD
SCHEMBL6721676 0.79 PTGS2 (0.44) PTGS2ALDH1A1RAB9ANPC1HPGD
SCHEMBL7042140 0.79 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7111850 0.79 PTGS2 (0.57) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7149729 0.78 PTGS2 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 5/4885ALDH1A1 263/4885RAB9A 3587/4885

“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.