SCHEMBL2445897

SCHEMBL2445897

CCCS(=O)(=O)c1ccc2cccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
PTGS2 P35354 2/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.40
PSIP1 O75475 1/20 0.39
GRIA4 P48058 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL2704545 0.95 ALOX5AP (0.48) ALOX5APFEN1PTGS2CYP2C9CYP2D6
SCHEMBL2449150 0.87 PTGS2 (0.50) ALOX5APFEN1PTGS2CYP2C9CYP2D6
SCHEMBL9813813 0.85 PTGS2 (0.50) ALOX5APFEN1PTGS2CYP2C9CYP2D6
SCHEMBL2703944 0.84 ALOX5AP (0.46) ALOX5APFEN1PTGS2CYP2C9CYP2D6
SCHEMBL4629540 0.83 ALOX5AP (0.50) ALOX5APFEN1
SCHEMBL4629650 0.81 ALOX5AP (0.52) ALOX5APFEN1
SCHEMBL2704655 0.81 PSIP1 (0.50) ALOX5APFEN1PTGS2CYP2C9CYP2D6
SCHEMBL4629307 0.76 CYP2C9 (0.57) CYP2C9CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL7208440 0.75 CA2 (0.44) ALOX5APFEN1PTGS2
SCHEMBL2447766 0.75 PTGS2 (0.64) PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 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 (1 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-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA ALOX5AP 694/4885FEN1 4249/4885PTGS2 791/4885

“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.