SCHEMBL1924697

SCHEMBL1924697

COc1ccc(-c2cc(COS(C)(=O)=O)c(=O)n(CC(C)C)n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.39
PTGS1 P23219 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ABCB11 O95342 1/20 0.38
GRM2 Q14416 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GFER P55789 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
SYK P43405 1/20 0.37
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL1925063 0.91 CA1 (0.36) PTGS2PTGS1MEN1KMT2ASYK
SCHEMBL1924336 0.88 PDE4A (0.38) PTGS2PTGS1GRM2PDE4APDE4B
SCHEMBL1924475 0.88 KMT2A (0.36) PTGS2MEN1KMT2AMAPTPTGES
SCHEMBL27538959 0.86 MEN1 (0.33) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1925043 0.86 KMT2A (0.36) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL1925395 0.86 PDE4A (0.40) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL1924492 0.85 PDE4B (0.43) PTGS2ALDH1A1MEN1KMT2APDE4A
SCHEMBL1926181 0.85 GRIN1 (0.43) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL27535489 0.84 KMT2A (0.33) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1925291 0.84 PDE4A (0.42) PTGS2PTGS1ALDH1A1MEN1KMT2A

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
EP-1431293-B1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2011-06-08 EP disclosed
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-7087606-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-04-21 US disclosed
US-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 EP disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 PTGS2 99/4885PTGS1 36/4885ALDH1A1 434/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PTGS2 145/4885PTGS1 17/4885ALDH1A1 164/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 PTGS2 113/4885PTGS1 13/4885ALDH1A1 244/4885

“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.