SCHEMBL2997356

SCHEMBL2997356

CC(C)(C)OC(=O)N1CCCC(Cn2cc(C(=O)O)c(=O)c3cc(I)ccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.47
HTR6 P50406 4/20 0.42
BCHE P06276 2/20 0.42
SCN9A Q15858 1/20 0.40
ACKR3 P25106 1/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT7 O95251 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
BACE1 P56817 2/20 0.38
USP30 Q70CQ3 2/20 0.38
CTSD P07339 1/20 0.38
CNR1 P21554 2/20 0.38
CYP2C9 P11712 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL13047247 1.00 FEN1 (0.47) FEN1HTR6BCHESCN9AACKR3
SCHEMBL13047240 1.00 FEN1 (0.47) FEN1HTR6BCHESCN9AACKR3
SCHEMBL1430431 0.95 FEN1 (0.41) FEN1HTR6BCHEPTPN1ALDH1A1
SCHEMBL13048078 0.91 FEN1 (0.42) FEN1HTR6BCHESCN9AACKR3
SCHEMBL13046958 0.91 FEN1 (0.42) FEN1HTR6BCHESCN9AACKR3
SCHEMBL13045992 0.90 HPGD (0.44) FEN1HTR6BCHESCN9APTPN1
SCHEMBL13045993 0.90 HPGD (0.44) FEN1HTR6BCHESCN9APTPN1
SCHEMBL1430353 0.85 HPGD (0.47) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13080498 0.85 HPGD (0.47) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3006912 0.84 CNR1 (0.46) PTPN1ALDH1A1KDM4EHPGDTSHR

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-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

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 FEN1 2957/4885HTR6 3670/4885BCHE 548/4885

“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.