SCHEMBL6514170

SCHEMBL6514170

O=C(CC(=O)C(F)(F)F)c1ccc(-c2cscn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.53
PLOD3 O60568 2/20 0.51
PLOD1 Q02809 2/20 0.51
CHEK2 O96017 1/20 0.41
ESR1 P03372 1/20 0.40
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
RORC P51449 1/20 0.37
SYK P43405 1/20 0.36
KAT6A Q92794 1/20 0.36
PARP1 P09874 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NTRK1 P04629 1/20 0.35
SCN9A Q15858 1/20 0.34
PTPN1 P18031 1/20 0.34
HAO1 Q9UJM8 1/20 0.34

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
SCHEMBL6513953 0.82 PLOD2 (0.44) PLOD2PLOD3PLOD1CHEK2KDM4A
SCHEMBL6313903 0.81 PLOD2 (0.47) PLOD2PLOD3PLOD1CHEK2KDM4A
SCHEMBL6513957 0.81 PLOD2 (0.38) PLOD2PLOD3PLOD1CHEK2KDM4A
SCHEMBL6313906 0.80 PLOD2 (0.43) PLOD2PLOD3PLOD1CHEK2KDM4A
SCHEMBL6524808 0.80 PLOD2 (0.43) PLOD2PLOD3PLOD1CHEK2KDM4A
SCHEMBL6522482 0.80 RORC (0.40) PLOD2PLOD3PLOD1CHEK2RORC
SCHEMBL6514062 0.79 PLOD2 (0.42) PLOD2PLOD3PLOD1CHEK2ESR1
SCHEMBL6514052 0.77 PLOD2 (0.40) PLOD2PLOD3PLOD1NTRK1
SCHEMBL6513218 0.77 RAB9A (0.59) PLOD2PLOD3PLOD1
SCHEMBL6513323 0.76 PLOD2 (0.54) PLOD2PLOD3PLOD1ADRB2ADRB1

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 10 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-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PLOD2 4308/4885PLOD3 3490/4885PLOD1 4213/4885
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.