SCHEMBL330589

SCHEMBL330589

CC(=O)C(Br)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CES2 O00748 5/20 0.47
CES1 P23141 5/20 0.47
LMNA P02545 2/20 0.47
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
MDM2 Q00987 1/20 0.44
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL330776 0.86 TDP1 (0.56) L3MBTL1TDP1ALDH1A1CYP3A4CES2
SCHEMBL18017503 0.84 PARP10 (0.51) ALDH1A1NPC1MAPTRAB9A
SCHEMBL6181797 0.82 TDP1 (0.52) L3MBTL1TDP1ALDH1A1CYP3A4CES2
SCHEMBL15659270 0.82 CES2 (0.52) L3MBTL1TDP1ALDH1A1CYP3A4CES2
SCHEMBL15458715 0.81 ALDH1A1 (0.48) TDP1ALDH1A1CES2CES1LMNA
SCHEMBL7428115 0.79 NAPRT (0.45) L3MBTL1ALDH1A1CYP3A4LMNAKMT2A
SCHEMBL908908 0.79 CES2 (0.46) ALDH1A1CES2CES1KMT2ATSHR
SCHEMBL12228069 0.78 TDP1 (0.50) L3MBTL1TDP1ALDH1A1CYP3A4CES2
SCHEMBL15759488 0.78 TDP1 (0.44) L3MBTL1TDP1ALDH1A1CYP3A4CES2
SCHEMBL11689583 0.78 PGR (0.49) L3MBTL1TDP1ALDH1A1CYP3A4CES2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085365-A Bazedoxifene acetate and preparation method of intermediate of bazedoxifene acetate SICHUAN KELUN PHARMACEUTICAL 2015-11-25 CN disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8236832-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2012-08-07 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090306155-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-10 US disclosed
US-7589214-B2 2-Cyclopentyl-4-(4-phenoxyphenyl)thiazole-5-carboxamide; amidation; oxidation; cyclization; VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-15 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-20030114453-A1 Non-steroidal IL-5 inhibitors, processes and intermediates for their preparation and pharmaceutical compositions comprising said inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-19 US disclosed
EP-1206471-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP disclosed
WO-2001010866-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-02-15 WO disclosed
US-4046759-A INTERMEDIATES FOR CEPHALOSPORINS ISHIMARU TOSHIYASU 1977-09-06 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 (6 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-20090306155-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K1, MAP3K20 L3MBTL1 3498/4885TDP1 905/4885ALDH1A1 3448/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A L3MBTL1 4864/4885TDP1 4412/4885ALDH1A1 479/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A L3MBTL1 4861/4885TDP1 4426/4885ALDH1A1 563/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A L3MBTL1 4861/4885TDP1 4426/4885ALDH1A1 563/4885
US-20030114453-A1 Non-steroidal IL-5 inhibitors, processes and intermediates for their preparation and pharmaceutical compositions comprising said inhibitors IL5, IL15, IL15RA L3MBTL1 4868/4885TDP1 4615/4885ALDH1A1 656/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB L3MBTL1 4810/4885TDP1 3996/4885ALDH1A1 1025/4885

“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.