SCHEMBL1361813

SCHEMBL1361813

Nc1cccc(S(=O)(=O)NCCN2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.57
POLB P06746 3/20 0.57
EPHX2 P34913 1/20 0.56
PRMT1 Q99873 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2850490 0.88 L3MBTL1 (0.58) MAPK1PRMT1
SCHEMBL2854997 0.87 SIGMAR1 (0.59) MAPK1PRMT1
SCHEMBL17374111 0.86 PRMT1 (0.54) ALDH1A1MAPK1PRMT1KMT2A
SCHEMBL3997072 0.85 ALDH1A1 (0.64) ALDH1A1MAPK1TDP1PKMPOLB
SCHEMBL1346829 0.85 L3MBTL1 (0.65) ALDH1A1MAPK1TDP1PKMPOLB
SCHEMBL4008566 0.84 POLB (0.67) ALDH1A1MAPK1TDP1POLBNPSR1
SCHEMBL78149 0.84 PKM (0.70) ALDH1A1MAPK1PKMPOLBEPHX2
SCHEMBL3719058 0.84 PKM (0.69) ALDH1A1MAPK1PKMPOLBEPHX2
Hydrochloric Acid SCHEMBL7966700 0.84 L3MBTL1 (0.63) ALDH1A1MAPK1TDP1PKMPOLB
SCHEMBL4618073 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1PKMPOLB

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-8067409-B2 Protein kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
EP-2222682-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2010-09-01 EP disclosed
US-20090253723-A1 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
WO-2008040000-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO disclosed
WO-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 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 (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-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 ALDH1A1 569/4885MAPK1 2649/4885TDP1 3160/4885
US-20090253723-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 ALDH1A1 4453/4885MAPK1 231/4885TDP1 878/4885

“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.