SCHEMBL874362

SCHEMBL874362

CCOP(=O)(CC=CBr)OCC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
PPARD Q03181 2/20 0.41
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL11443334 1.00 TSHR (0.48) TSHRPPARDTDP1TP53MEN1
SCHEMBL16681891 0.85 TSHR (0.57) TSHRPPARDTDP1TP53MEN1
SCHEMBL1679770 0.85 TSHR (0.57) TSHRPPARDTDP1TP53MEN1
SCHEMBL1679837 0.85 TSHR (0.57) TSHRPPARDTDP1TP53MEN1
SCHEMBL9446012 0.80 TSHR (0.46) TSHRPPARDTDP1TP53MEN1
SCHEMBL20490115 0.79 TSHR (0.50) TSHRPPARDTDP1TP53MEN1
SCHEMBL11341590 0.79 TSHR (0.50) TSHRPPARDTDP1TP53MEN1
SCHEMBL4609885 0.79 TSHR (0.50) TSHRPPARDTDP1TP53MEN1
SCHEMBL14457806 0.77 TSHR (0.43) TSHRPPARDTDP1TP53MEN1
SCHEMBL12845865 0.76 TSHR (0.46) TSHRPPARDTDP1TP53MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-5595983-A ANTAGONIST ACTION AT AMINO ACID RECEPTORS, ANTICONVULSANTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-01-21 US disclosed
US-5399693-A Substituted piperazine-2-carboxylic acids and derivatives thereof BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-03-21 US disclosed
EP-0159889-B1 4-SUBSTITUTED PIPERAZINE-2-CARBOXYLIC ACIDS PROCESS AND PHARMACEUTICAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1992-09-30 EP disclosed
EP-0159889-A2 4-Substituted piperazine-2-carboxylic acids process and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1985-10-30 EP disclosed
US-4206156-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-06-03 US disclosed
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS TSHR 2380/4885PPARD 893/4885TDP1 763/4885

“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.