SCHEMBL6512481

SCHEMBL6512481

O=C(CC(=O)C(F)(F)F)c1ccc(-c2cocn2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
KRAS P01116 1/20 0.33
CASP6 P55212 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
KMO O15229 1/20 0.32
F2RL1 P55085 1/20 0.32
SCN9A Q15858 1/20 0.32
CXCR2 P25025 1/20 0.31
KAT7 O95251 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
CCR9 P51686 1/20 0.31
ALPL P05186 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL6513893 0.85 PLOD2 (0.43) PLOD2PLOD3PLOD1IMPDH2IMPDH1
SCHEMBL6512610 0.82 IMPDH2 (0.56) PLOD2PLOD3PLOD1IMPDH2IMPDH1
SCHEMBL6524808 0.80 PLOD2 (0.43) PLOD2PLOD3PLOD1ALPLMEN1
SCHEMBL6513323 0.79 PLOD2 (0.54) PLOD2PLOD3PLOD1SCN9ACCR9
SCHEMBL6314788 0.77 PLOD2 (0.45) PLOD2PLOD3PLOD1KMOSCN9A
SCHEMBL1349410 0.75 PLOD2 (0.59) PLOD2PLOD3PLOD1KMOHDAC1
SCHEMBL6524795 0.74 PLOD2 (0.44) PLOD2PLOD3PLOD1MEN1MAPT
SCHEMBL1924889 0.73 PLOD2 (0.60) PLOD2PLOD3PLOD1MEN1MAPT
SCHEMBL1348683 0.69 PLOD2 (0.54) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL4560915 0.69 PLOD2 (0.61) PLOD2PLOD3PLOD1MEN1KMT2A

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-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US 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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885

“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.