SCHEMBL1770074

SCHEMBL1770074

CC(C)(C(=O)CBr)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.44
MIF P14174 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
FFAR2 O15552 1/20 0.39
MAPT P10636 3/20 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
SCHEMBL27184039 0.82 GSK3B (0.45) GSK3BMEN1KMT2APOLBNPC1
SCHEMBL4437285 0.82 KMT2A (0.48) GSK3BMEN1KMT2APOLBMIF
SCHEMBL19578313 0.82 MEN1 (0.48) MEN1KMT2APOLBMIFCYP1A2
SCHEMBL5331421 0.81 PTPN1 (0.47) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL604852 0.80 TSHR (0.42) POLBCYP2C19CYP3A4TSHR
SCHEMBL5331416 0.80 MAPT (0.55) GSK3BKMT2ACYP1A2CYP2C19MAPT
SCHEMBL11003865 0.79 SCN5A (0.43) MEN1KMT2ACYP2C19SMN1; SMN2MAPT
SCHEMBL8160579 0.77 MEN1 (0.56) MEN1KMT2APOLBMIFCYP1A2
SCHEMBL19433308 0.77 MEN1 (0.42) MEN1KMT2APOLBMIFCYP1A2
SCHEMBL15778696 0.77 GRIN2D (0.45) MEN1KMT2APOLBMIFCYP1A2

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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO disclosed
EP-0150499-A2 Substituted 3-azolyl butane derivatives, process for their preparation and agricultural and horticultural fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-08-07 EP 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 GSK3B 650/4885MEN1 2644/4885KMT2A 2328/4885

“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.