SCHEMBL2991284

SCHEMBL2991284

CC(C)(C)OC(=O)N1CCCC(n2cc(C(=O)O)c(=O)c3cc(I)ccc32)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.41
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCD Q05655 1/20 0.40
FPR2 P25090 1/20 0.39
USP30 Q70CQ3 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
TOP2A P11388 1/20 0.38
CYP2C9 P11712 1/20 0.38
TOP2B Q02880 1/20 0.38
FEN1 P39748 1/20 0.38
HCAR1 Q9BXC0 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
SCHEMBL1432667 0.94 PRKCG (0.45) KDM4EALDH1A1PRKCGPRKCBPRKCA
SCHEMBL13080505 0.89 MEN1 (0.41) KDM4EALDH1A1PRKCGPRKCBPRKCA
SCHEMBL13080502 0.89 MEN1 (0.41) KDM4EALDH1A1PRKCGPRKCBPRKCA
SCHEMBL1431582 0.89 MEN1 (0.41) KDM4EALDH1A1PRKCGPRKCBPRKCA
SCHEMBL13080499 0.83 BTK (0.43) KDM4EALDH1A1PRKCGPRKCBPRKCA
SCHEMBL13047247 0.83 FEN1 (0.47) KDM4EALDH1A1USP30HPGDHSD17B10
SCHEMBL2997356 0.83 FEN1 (0.47) KDM4EALDH1A1USP30HPGDHSD17B10
SCHEMBL13047240 0.83 FEN1 (0.47) KDM4EALDH1A1USP30HPGDHSD17B10
SCHEMBL13080527 0.83 BTK (0.43) KDM4EALDH1A1PRKCGPRKCBPRKCA
SCHEMBL3003618 0.83 KDM4E (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10

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-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
CN-102105469-A Heterocyclic urea derivatives for the treatment of bacterial infections ASTRAZENECA AB 2011-06-22 CN disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 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-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 KDM4E 2874/4885ALDH1A1 1122/4885PRKCG 3379/4885

“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.