SCHEMBL405155

SCHEMBL405155

C=Cc1c(C(=O)O)ccc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
ERN1 O75460 2/20 0.40
CYP1A2 P05177 1/20 0.38
PTPN1 P18031 3/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL12760904 0.82 ERN1 (0.49) ERN1CYP1A2PTPN1PTPN2PTPN6
SCHEMBL332990 0.81 CYP1A2 (0.50) SLC22A6SLC22A8CYP1A2PTPN1MCL1
Propene SCHEMBL28186167 0.75 SLC22A6 (0.49) SLC22A6SLC22A8CYP1A2PTPN1MCL1
SCHEMBL607237 0.74 CYP1A2 (0.48) ERN1CYP1A2PTPN1PTPN2PTPN6
SCHEMBL27494534 0.73 ALDH1A1 (0.52) SLC22A6SLC22A8TSHRCA12CA1
SCHEMBL29045172 0.73 CYP1A2 (0.46) ERN1CYP1A2PTPN1PTPN2PTPN6
SCHEMBL78614 0.71 SELL (0.52) ERN1CYP1A2PTPN1PTPN2PTPN6
SCHEMBL195812 0.71 CYP1A2 (0.44) ERN1CYP1A2PTPN1PTPN2PTPN6
SCHEMBL16634440 0.71 ALOX15 (0.35) ERN1ALOX15
SCHEMBL4851530 0.69 KDM4E (0.42) ERN1CYP1A2PTPN1PTPN2PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 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 (7 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SLC22A6 670/4885SLC22A8 463/4885ERN1 697/4885

“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.