SCHEMBL3484834

SCHEMBL3484834

FC(F)(F)c1ccc(CCCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
MAOB P27338 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
MIF P14174 1/20 0.44
GSK3B P49841 1/20 0.44
FDFT1 P37268 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
IDO1 P14902 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL11395535 1.00 TAAR1 (0.53) TAAR1HDAC1HDAC8MAOBSIRT2
SCHEMBL5781780 0.98 TAAR1 (0.55) TAAR1HDAC1HDAC8MAOBSIRT2
SCHEMBL79100 0.92 TAAR1 (0.57) TAAR1HDAC1HDAC8MAOBSIRT2
SCHEMBL177739 0.83 TAAR1 (0.61) TAAR1HDAC1HDAC8MAOBPTPN1
SCHEMBL9670640 0.82 THRA (0.50) HDAC1MAOBTHRATHRB
SCHEMBL9673266 0.82 THRA (0.50) HDAC1MAOBTHRATHRB
SCHEMBL9673289 0.82 THRA (0.50) HDAC1MAOBTHRATHRB
SCHEMBL9670792 0.82 THRA (0.50) HDAC1MAOBTHRATHRB
SCHEMBL7762551 0.82 PTPN2 (0.44) TAAR1HDAC1HDAC8MAOBSIRT2
Bromide SCHEMBL28679828 0.81 TAAR1 (0.59) TAAR1HDAC1HDAC8MAOBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
WO-2015179697-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
EP-1940769-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 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 (2 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-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ELANE, MMP8, NISCH TAAR1 4306/4885HDAC1 1021/4885HDAC8 1834/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 TAAR1 4462/4885HDAC1 317/4885HDAC8 459/4885

“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.