SCHEMBL2302730

SCHEMBL2302730

COc1cc(OC)cc(-c2cc(N3CCNC3=O)ccc2S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.38
TGFBR1 P36897 2/20 0.38
CYP1A1 P04798 2/20 0.36
TNF P01375 1/20 0.36
RIPK2 O43353 6/20 0.36
NOD2 Q9HC29 6/20 0.36
SUV39H2 Q9H5I1 2/20 0.36
ADRB1 P08588 1/20 0.35
EGFR P00533 1/20 0.35
ROS1 P08922 1/20 0.35
ALK Q9UM73 1/20 0.35
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2302987 0.91 PRKAB2 (0.42) TGFBR1TNFSUV39H2KMT2AHSD17B10
SCHEMBL2300656 0.90 TGFBR1 (0.40) ACVR1TGFBR1TNFKMT2AHSD17B10
SCHEMBL2301546 0.89 ACVR1 (0.40) ACVR1TGFBR1CYP1A1TNFRIPK2
SCHEMBL2302556 0.87 ACVR1 (0.43) ACVR1TGFBR1CYP1A1RIPK2SUV39H2
SCHEMBL2304343 0.85 CCNA2 (0.33) SUV39H2EGFRROS1ALKKMT2A
SCHEMBL2299984 0.84 TGFBR1 (0.40) ACVR1TGFBR1SUV39H2EGFRROS1
SCHEMBL14119235 0.84 DGAT2 (0.40) ACVR1TGFBR1KMT2AHSD17B10
SCHEMBL2304872 0.84 KMT2A (0.38) EGFRROS1ALKKMT2A
SCHEMBL2299608 0.83 ALOX5 (0.39)
SCHEMBL2301831 0.82 MEN1 (0.36) CYP1A1SUV39H2ADRB1EGFRROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 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 (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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 ACVR1 1246/4885TGFBR1 2246/4885CYP1A1 1777/4885

“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.