SCHEMBL3000336

SCHEMBL3000336

CC(C)(C)OC(=O)Nc1c(OCc2ccccc2)cc2ccccc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.44
CYP2C9 P11712 1/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NCEH1 Q6PIU2 1/20 0.41
LMNA P02545 2/20 0.41
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
AKT1 P31749 1/20 0.39
USP2 O75604 1/20 0.39
SMPD1 P17405 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
SCHEMBL13007025 0.81 TOP2A (0.50) PTGER1CYP2C9TOP2ATOP2BMEN1
SCHEMBL31088840 0.80 PTGER1 (0.49) PTGER1CYP2C9MEN1KMT2ALMNA
SCHEMBL27779910 0.76 NCEH1 (0.44) PTGER1GAANCEH1LMNAPRNP
SCHEMBL2889547 0.76 CYP2C9 (0.47) PTGER1CYP2C9MEN1NPC1GAA
SCHEMBL630652 0.75 LRRK2 (0.46) PTGER1CYP2C9LMNABRD4USP2
SCHEMBL30026828 0.75 LRRK2 (0.46) PTGER1CYP2C9LMNABRD4USP2
SCHEMBL31088233 0.75 CYP2C9 (0.43) PTGER1CYP2C9TOP2ATOP2BNPC1
SCHEMBL6279532 0.75 BRD4 (0.48) PTGER1CYP2C9MEN1NPC1GAA
SCHEMBL16521347 0.74 CYP2C9 (0.44) PTGER1CYP2C9TOP2ATOP2BMEN1
SCHEMBL15014407 0.74 CYP2C9 (0.48) PTGER1CYP2C9TOP2ATOP2BMEN1

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-20100197744-A1 Organic Compounds BARNES DAVID 2010-08-05 US disclosed
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 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-20100197744-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTGER1 1559/4885CYP2C9 3792/4885TOP2A 1267/4885

“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.