SCHEMBL1162776

SCHEMBL1162776

Fc1cccc([Mg]Br)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL31444457 1.00 CES2 (0.38) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL30769070 0.79
SCHEMBL182562 0.79
SCHEMBL28095225 0.78 CES2 (0.44) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL1446076 0.77 CES2 (0.36) CES2CES1
SCHEMBL1863530 0.76 TAAR1 (0.32) CES2CES1
SCHEMBL31444326 0.76 TAAR1 (0.32) CES2CES1
SCHEMBL1125226 0.76 ACHE (0.37) CES2CES1
SCHEMBL1445913 0.75 CES2 (0.38) CES2CES1BCHESLC6A2SLC6A4
Bromide SCHEMBL1446078 0.75 CES2 (0.38) CES2CES1BCHESLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609574-B2 In situ olefin polymerization catalyst system PROMERUS LLC (US) 2013-12-17 US claimed
EP-2296811-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM Promerus, LLC (US) 2011-03-23 EP claimed
US-20090270247-A1 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 US claimed
WO-2009132240-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 WO claimed
CN-116102564-A Preparation method of azole compound and application of azole compound as antibacterial agent 上海济煜医药科技有限公司 2023-05-12 CN disclosed
WO-2021112251-A1 AZETIDINE SULFONAMIDE COMPOUND 第一三共株式会社 2021-06-10 WO disclosed
US-9512126-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-12-06 US disclosed
EP-2825540-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-09-14 EP disclosed
US-20160175306-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
EP-3007698-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
US-20150104526-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-16 US disclosed
EP-2825540-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2015-01-21 EP disclosed
WO-2011016576-A1 ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 WO disclosed
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS PFIZER INC. 2010-05-06 US disclosed
WO-2010049841-A1 7-AZASPIRO [3.5] NONANE-7-CARBOXAMIDE COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE PFIZER INC. (US) 2010-05-06 WO disclosed
US-20090270247-A1 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 US disclosed
WO-2009132240-A2 IN SITU OLEFIN POLYMERIZATION CATALYST SYSTEM PROMERUS LLC (US) 2009-10-29 WO disclosed
US-5153211-A Enzyme inhibitors ALCON LABORATORIES, INC. (US) 1992-10-06 US disclosed
US-5070100-A COMPLICATIONS OF DIABETES ALCON LABORATORIES, INC. (US) 1991-12-03 US disclosed
US-4864028-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1989-09-05 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 (3 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-20160175306-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BUB1, BUB1B, CDK1 CES2 2460/4885CES1 802/4885BCHE 2749/4885
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS FAAH, FAAH2, APEH CES2 1035/4885CES1 226/4885BCHE 363/4885
US-20150104526-A1 SUBSTITUTED IMIDAZOPYRIDAZINES VEGFA, CCND2, FLT4 CES2 3272/4885CES1 1984/4885BCHE 4212/4885

“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.