SCHEMBL6513038

SCHEMBL6513038

COc1cc(-c2cscn2)ccc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.45
CHEK1 O14757 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.40
P2RX3 P56373 2/20 0.39
CHEK2 O96017 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NEK2 P51955 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL10151024 0.81 FYN (0.48) MEN1ALDH1A1ALOX15MAPK1KMT2A
SCHEMBL6517121 0.80 FAAH (0.43) CHEK2KMO
SCHEMBL6516629 0.80 P2RX7 (0.41) CHEK2P2RX7KMOKDM4E
SCHEMBL27409541 0.74 ALDH1A1 (0.44) MEN1ALDH1A1KMT2AHSD17B10CYP1A1
SCHEMBL15384396 0.74 KMO (0.50) ECE1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL15384455 0.74 ALDH1A1 (0.58) MEN1ALDH1A1MAPK1KMT2AHSD17B10
SCHEMBL8324094 0.73 ERN1 (0.43) ECE1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL2387890 0.72 ECE1 (0.47) ECE1CYP1A1CYP1A2CYP1B1HCRTR1
SCHEMBL6513294 0.72 ECE1 (0.45) ECE1MEN1ALDH1A1KMT2ACHEK2
SCHEMBL7855714 0.72 KAT6A (0.54) MEN1ALDH1A1KMT2ACHEK2MKNK2

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 8 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

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 ECE1 1359/4885CHEK1 4765/4885MEN1 4343/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 ECE1 1481/4885CHEK1 4774/4885MEN1 4451/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 ECE1 1359/4885CHEK1 4765/4885MEN1 4343/4885

“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.