SCHEMBL7044829

SCHEMBL7044829

CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2CC3)cn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.65
PTGS1 P23219 4/20 0.65
F10 P00742 9/20 0.44
GRIA2 P42262 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5698749 0.85 PTGS2 (0.80) PTGS2PTGS1F10GRIA2CYP1A2
SCHEMBL7041609 0.80 PTGS1 (0.62) PTGS2PTGS1
SCHEMBL5698714 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7222935 0.74 PTGS1 (0.55) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL8989445 0.72 PTGS2 (0.70) PTGS2PTGS1F10MAPTKDM4E
SCHEMBL8039330 0.72 PTGS2 (0.68) PTGS2PTGS1F10
SCHEMBL6167942 0.67 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6339161 0.67 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6390454 0.67 PTGS2 (0.38) PTGS2PTGS1GRIA2MAPTALDH1A1
SCHEMBL6168379 0.67 PTGS2 (0.65) 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-6538009-B2 Selective cyclooxygenase-2 (COX-2) inhibitors; for example, 1-(5-Methanesulfonyl-pyridin-2-yl)-7-methoxy-3-trifluoromethyl-4,5-dihydro -1H-benzo(g) indazole PFIZER, INC. 2003-03-25 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
US-20020115856-A1 Pyrazole derivatives as anti-inflammatory/analgesic agents SAKYA SUBAS MAN (US) 2002-08-22 US disclosed
EP-1142889-A1 Pyrazole derivatives as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-10-10 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 PTGS2 4/4885PTGS1 1/4885F10 1821/4885
US-20020115856-A1 Pyrazole derivatives as anti-inflammatory/analgesic agents FPR3, P2RX3, FPR1 PTGS2 72/4885PTGS1 27/4885F10 502/4885

“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.