SCHEMBL2997527

SCHEMBL2997527

CC(C)(C)C(CO)n1cc(C(=O)O)c(=O)c2cc(I)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPN1 P18031 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
METTL3 Q86U44 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DNMT1 P26358 1/20 0.34
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL11948599 0.86 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL16850597 0.86 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL13080464 0.86 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL2990529 0.85 METTL3 (0.50) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL11956109 0.84 CNR1 (0.32) PTPN1CNR1CNR2DNMT1
SCHEMBL3004233 0.84 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL11956104 0.81 ERN1 (0.35) DNMT1
SCHEMBL4154022 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL3008256 0.81 PTPN1 (0.39) KDM4EALDH1A1HPGDHSD17B10PTPN1
SCHEMBL3003159 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PTPN1

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
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO 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 (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-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 KDM4E 2695/4885ALDH1A1 847/4885HPGD 121/4885
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 KDM4E 2874/4885ALDH1A1 1122/4885HPGD 137/4885

“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.